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Cumenes

Organic compounds that consist of a benzene ring with an isopropyl functional group; isopropyl groups consist of an ethyl chain with a methyl group in the first carbon atom. These compounds are also known as isopropylbenzenes.
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2-Isopropylphenyl isothiocyanate, 96%

CAS: 36176-31-5 Molecular Formula: C10H11NS Molecular Weight (g/mol): 177.265 MDL Number: MFCD00022053 InChI Key: QQOOMDSEMQHMIR-UHFFFAOYSA-N Synonym: 2-isopropylphenyl isothiocyanate,1-isopropyl-2-isothiocyanatobenzene,1-isothiocyanato-2-propan-2-yl benzene,benzene, 1-isothiocyanato-2-1-methylethyl,2-methylethyl benzenisothiocyanate,2-isopropylphenylisothiocyanate,acmc-20ansf,2-isopropylphenyl-isothiocyanate,2-iso-propylphenyl isothiocyanate PubChem CID: 142052 IUPAC Name: 1-isothiocyanato-2-propan-2-ylbenzene SMILES: CC(C)C1=CC=CC=C1N=C=S

PubChem CID 142052
CAS 36176-31-5
Molecular Weight (g/mol) 177.265
MDL Number MFCD00022053
SMILES CC(C)C1=CC=CC=C1N=C=S
Synonym 2-isopropylphenyl isothiocyanate,1-isopropyl-2-isothiocyanatobenzene,1-isothiocyanato-2-propan-2-yl benzene,benzene, 1-isothiocyanato-2-1-methylethyl,2-methylethyl benzenisothiocyanate,2-isopropylphenylisothiocyanate,acmc-20ansf,2-isopropylphenyl-isothiocyanate,2-iso-propylphenyl isothiocyanate
IUPAC Name 1-isothiocyanato-2-propan-2-ylbenzene
InChI Key QQOOMDSEMQHMIR-UHFFFAOYSA-N
Molecular Formula C10H11NS
2
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2-Isopropylphenol, 97%

CAS: 88-69-7 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.19 MDL Number: MFCD00002224 InChI Key: CRBJBYGJVIBWIY-UHFFFAOYSA-N Synonym: 2-isopropylphenol,o-hydroxycumene,o-isopropylphenol,o-cumenol,1-hydroxy-2-isopropylbenzene,2-propan-2-yl phenol,2-1-methylethyl phenol,phenol, o-isopropyl,phenol, 2-1-methylethyl,isopropylphenol PubChem CID: 6943 ChEBI: CHEBI:38506 IUPAC Name: 2-propan-2-ylphenol SMILES: CC(C)C1=CC=CC=C1O

PubChem CID 6943
CAS 88-69-7
Molecular Weight (g/mol) 136.19
ChEBI CHEBI:38506
MDL Number MFCD00002224
SMILES CC(C)C1=CC=CC=C1O
Synonym 2-isopropylphenol,o-hydroxycumene,o-isopropylphenol,o-cumenol,1-hydroxy-2-isopropylbenzene,2-propan-2-yl phenol,2-1-methylethyl phenol,phenol, o-isopropyl,phenol, 2-1-methylethyl,isopropylphenol
IUPAC Name 2-propan-2-ylphenol
InChI Key CRBJBYGJVIBWIY-UHFFFAOYSA-N
Molecular Formula C9H12O
3
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1-Bromo-4-isopropylbenzene, 97%

CAS: 586-61-8 Molecular Formula: C9H11Br Molecular Weight (g/mol): 199.09 MDL Number: MFCD00039159 InChI Key: MOZHUOIQYVYEPN-UHFFFAOYSA-N Synonym: 1-bromo-4-isopropylbenzene,4-bromocumene,4-bromoisopropylbenzene,p-bromocumene,4-isopropylbromobenzene,benzene, 1-bromo-4-1-methylethyl,p-bromoisopropylbenzene,2-p-bromophenyl propane,cumene, p-bromo,2-4-bromophenyl propane PubChem CID: 11462 IUPAC Name: 1-bromo-4-propan-2-ylbenzene SMILES: CC(C)C1=CC=C(Br)C=C1

PubChem CID 11462
CAS 586-61-8
Molecular Weight (g/mol) 199.09
MDL Number MFCD00039159
SMILES CC(C)C1=CC=C(Br)C=C1
Synonym 1-bromo-4-isopropylbenzene,4-bromocumene,4-bromoisopropylbenzene,p-bromocumene,4-isopropylbromobenzene,benzene, 1-bromo-4-1-methylethyl,p-bromoisopropylbenzene,2-p-bromophenyl propane,cumene, p-bromo,2-4-bromophenyl propane
IUPAC Name 1-bromo-4-propan-2-ylbenzene
InChI Key MOZHUOIQYVYEPN-UHFFFAOYSA-N
Molecular Formula C9H11Br
4
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2,6-Diisopropylphenyl isocyanate, 94%

CAS: 28178-42-9 Molecular Formula: C13H17NO Molecular Weight (g/mol): 203.29 MDL Number: MFCD00008882 InChI Key: FEUFNKALUGDEMQ-UHFFFAOYSA-N Synonym: 2,6-diisopropylphenyl isocyanate,2,6-diisopropylphenylisocyanate,2-isocyanato-1,3-diisopropylbenzene,benzene, 2-isocyanato-1,3-bis 1-methylethyl,isocyanic acid 2,6-diisopropylphenyl ester,isocyanic acid, 2,6-diisopropylphenyl ester,1,3-bis 1-methylethyl-2-isocyanatobenzene,2,6-bis 1-methylethyl phenyl isocyanate,2-isocyanato-1,3-di propan-2-yl benzene,benzene, 1,3-bis 1-methylethyl-2-isocyanato PubChem CID: 92259 IUPAC Name: 2-isocyanato-1,3-di(propan-2-yl)benzene SMILES: CC(C)C1=CC=CC(C(C)C)=C1N=C=O

PubChem CID 92259
CAS 28178-42-9
Molecular Weight (g/mol) 203.29
MDL Number MFCD00008882
SMILES CC(C)C1=CC=CC(C(C)C)=C1N=C=O
Synonym 2,6-diisopropylphenyl isocyanate,2,6-diisopropylphenylisocyanate,2-isocyanato-1,3-diisopropylbenzene,benzene, 2-isocyanato-1,3-bis 1-methylethyl,isocyanic acid 2,6-diisopropylphenyl ester,isocyanic acid, 2,6-diisopropylphenyl ester,1,3-bis 1-methylethyl-2-isocyanatobenzene,2,6-bis 1-methylethyl phenyl isocyanate,2-isocyanato-1,3-di propan-2-yl benzene,benzene, 1,3-bis 1-methylethyl-2-isocyanato
IUPAC Name 2-isocyanato-1,3-di(propan-2-yl)benzene
InChI Key FEUFNKALUGDEMQ-UHFFFAOYSA-N
Molecular Formula C13H17NO
5
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4-Isopropylaniline, 99%

CAS: 99-88-7 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 MDL Number: MFCD00007900 InChI Key: LRTFPLFDLJYEKT-UHFFFAOYSA-N Synonym: 4-isopropylaniline,cumidine,4-aminocumene,p-isopropylaniline,p-cumidine,4-propan-2-yl aniline,para-isopropylaniline,4-amino-1-isopropylbenzene,cumene, p-amino,aniline, p-isopropyl PubChem CID: 7464 ChEBI: CHEBI:43405 IUPAC Name: 4-propan-2-ylaniline SMILES: CC(C)C1=CC=C(C=C1)N

PubChem CID 7464
CAS 99-88-7
Molecular Weight (g/mol) 135.21
ChEBI CHEBI:43405
MDL Number MFCD00007900
SMILES CC(C)C1=CC=C(C=C1)N
Synonym 4-isopropylaniline,cumidine,4-aminocumene,p-isopropylaniline,p-cumidine,4-propan-2-yl aniline,para-isopropylaniline,4-amino-1-isopropylbenzene,cumene, p-amino,aniline, p-isopropyl
IUPAC Name 4-propan-2-ylaniline
InChI Key LRTFPLFDLJYEKT-UHFFFAOYSA-N
Molecular Formula C9H13N
6
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4-Isopropylphenol, 98%

CAS: 99-89-8 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.19 MDL Number: MFCD00002372 InChI Key: YQUQWHNMBPIWGK-UHFFFAOYSA-N Synonym: 4-isopropylphenol,p-isopropylphenol,p-cumenol,australol,phenol, 4-1-methylethyl,4-1-methylethyl phenol,1-hydroxy-4-isopropylbenzene,4-propan-2-yl phenol,phenol, p-isopropyl,para-isopropylphenol PubChem CID: 7465 IUPAC Name: 4-propan-2-ylphenol SMILES: CC(C)C1=CC=C(C=C1)O

PubChem CID 7465
CAS 99-89-8
Molecular Weight (g/mol) 136.19
MDL Number MFCD00002372
SMILES CC(C)C1=CC=C(C=C1)O
Synonym 4-isopropylphenol,p-isopropylphenol,p-cumenol,australol,phenol, 4-1-methylethyl,4-1-methylethyl phenol,1-hydroxy-4-isopropylbenzene,4-propan-2-yl phenol,phenol, p-isopropyl,para-isopropylphenol
IUPAC Name 4-propan-2-ylphenol
InChI Key YQUQWHNMBPIWGK-UHFFFAOYSA-N
Molecular Formula C9H12O
7

eMolecules​ 317319-10-1 | 2-(4-HYDROXY-2-METHYLPHENOXY)-ACETIC ACID METHYL ESTER | MFCD07778439 | 1g

Ambeed | 1144771010-Octamethyl-2347891012-octahydro-1H-dibenzo[bh]fluorene | 250mg | 525017491 | A119735 | 77308-48-6 | MFCD23135524 | 386.623 | C29H38

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8

Medchemexpress LLC Brite-338733 | 503105-88-2 | 98.9% | 433.59 | 10 MG
SDP

BRITE-338733 is an inhibitor of E. coli RecA ATPase activity (IC50: 4.7 μM). It also inhibits the ATP hydrolysis activity of RSC chromatin remodeling enzyme by binding to its ATP-binding pocket and DNA (IC50: 0.316 μM). BRITE-338733 exhibits cytotoxicity against MCF-7 and MDA-MB-231 breast cancer cells. It can be used in studies on antibacterial adjuvants and anticancer research.

  • Exhibits strong and stable binding affinity for the ATPase domain of Sth1, the catalytic subunit of the yeast RSC complex.
  • Potently inhibits the ATP hydrolysis activity of purified yeast RSC complex.
  • Exhibits cytotoxicity against human breast cancer cell lines MCF-7 and MDA-MB-231.

ENCOMPASS_PREFERRED
9

Medchemexpress LLC 5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]pyrimidine-2,4-diamine | 1026582-88-6 | MFCD12828747 | 97.3% | 302.37 g/mol | C16H22N4O2 | 10 MG
SDP

RO-3 is a small-molecule research compound that selectively antagonizes P2X3 and P2X2/3 purinergic receptors. It is described as CNS-penetrant and orally active, and is supplied as a solid for laboratory research use only. Handle according to safety data and supplier instructions for storage and use.

  • Selective P2X3 and P2X2/3 antagonist.
  • CNS-penetrant and orally active.
  • Reported purity approximately 97.3%.
  • Available in small milligram-scale quantities for research use.
  • Solid form with recommended cold storage for long-term stability.

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10

Medchemexpress LLC RO-3 | 1026582-88-6 | 97.3% | 302.37 | 5 MG
SDP

RO-3 is a potent, and orally active P2X3 and P2X2/3 antagonist with pIC50s of 5.9 and 7.0 for human homomultimeric P2X3 and heteromultimeric P2X2/3 receptors, respectively. It shows selectivity for P2X3 and P2X2/3 over all other functional homomultimeric P2X receptors (IC50 >10 μM at P2X1,2,4,5,7).

  • Reduces afferent nerve activity induced by distension or α,β-meATP in guinea pig ureter-afferent nerve and mouse bladder-pelvic nerve preparations.
  • Has activity in several rodent models of pain, as well as in cystometry models optimized to measure various parameters associated with sensory regulation of the micturition reflex.
  • Exhibits moderate to high metabolic stability in rat and human hepatocytes and liver microsomes, is highly permeable, orally bioavailable (14%), and has a reasonable in vivo plasma half-life (t1/2=0.41 h) in rats.
  • Appearance: Solid.
  • Color: Yellow to orange.

ENCOMPASS_PREFERRED
11

Ro 51, Tocris Bioscience™

CAS: 1050670-85-3 Molecular Formula: C17H23IN4O4 Molecular Weight (g/mol): 474.299 InChI Key: PAYROHWFGZADBR-UHFFFAOYSA-N Synonym: 2-4-amino-5-5-iodo-2-isopropyl-4-methoxyphenoxy pyrimidin-2-yl amino propane-1,3-diol,compound 128 pmid: 26686393,2-4-amino-5-5-iodo-2-isopropyl-4-methoxyphenoxy pyrimidin-2-ylamino propane-1,3-diol,2-4-amino-5-5-iodo-2-isopropyl-4-methoxy-phenoxy-pyrimidin-2-ylamino-propane-1,3-diol,2-4-amino-5-5-iodo-4-methoxy-2-propan-2-ylphenoxy pyrimidin-2-yl amino propane-1,3-diol,2-4-amino-5-5-iodo-4-methoxy-2-1-methylethyl phenoxy-2,4-pyrimidinyl amino-1,3-propanediol PubChem CID: 24883277 IUPAC Name: 2-[[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]amino]propane-1,3-diol SMILES: CC(C)C1=CC(=C(C=C1OC2=CN=C(N=C2N)NC(CO)CO)I)OC

PubChem CID 24883277
CAS 1050670-85-3
Molecular Weight (g/mol) 474.299
SMILES CC(C)C1=CC(=C(C=C1OC2=CN=C(N=C2N)NC(CO)CO)I)OC
Synonym 2-4-amino-5-5-iodo-2-isopropyl-4-methoxyphenoxy pyrimidin-2-yl amino propane-1,3-diol,compound 128 pmid: 26686393,2-4-amino-5-5-iodo-2-isopropyl-4-methoxyphenoxy pyrimidin-2-ylamino propane-1,3-diol,2-4-amino-5-5-iodo-2-isopropyl-4-methoxy-phenoxy-pyrimidin-2-ylamino-propane-1,3-diol,2-4-amino-5-5-iodo-4-methoxy-2-propan-2-ylphenoxy pyrimidin-2-yl amino propane-1,3-diol,2-4-amino-5-5-iodo-4-methoxy-2-1-methylethyl phenoxy-2,4-pyrimidinyl amino-1,3-propanediol
IUPAC Name 2-[[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]amino]propane-1,3-diol
InChI Key PAYROHWFGZADBR-UHFFFAOYSA-N
Molecular Formula C17H23IN4O4