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Benzisoxazoles

Aromatic organic heterocyclic compounds that consist of benzene fused with an isoxazole; isoxazoles are an azole with an oxygen atom next to the nitrogen atom.
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Zonisamide

CAS: 68291-97-4 Molecular Formula: C8H8N2O3S Molecular Weight (g/mol): 212.22 MDL Number: MFCD00865316 InChI Key: UBQNRHZMVUUOMG-UHFFFAOYSA-N IUPAC Name: (1,2-benzoxazol-3-yl)methanesulfonamide SMILES: NS(=O)(=O)CC1=NOC2=CC=CC=C12

CAS 68291-97-4
Molecular Weight (g/mol) 212.22
MDL Number MFCD00865316
SMILES NS(=O)(=O)CC1=NOC2=CC=CC=C12
IUPAC Name (1,2-benzoxazol-3-yl)methanesulfonamide
InChI Key UBQNRHZMVUUOMG-UHFFFAOYSA-N
Molecular Formula C8H8N2O3S
2

5-bromo-1,2-benzisoxazol-3-ylamine, 97%, Thermo Scientific™

CAS: 455280-00-9 Molecular Formula: C7H5BrN2O Molecular Weight (g/mol): 213.03 MDL Number: MFCD09834823 InChI Key: BGMYWBQEKIMHGU-UHFFFAOYSA-N Synonym: 5-bromobenzo d isoxazol-3-ylamine,5-bromobenzo d isoxazol-3-amine,5-bromo-1,2-benzisoxazol-3-ylamine,1,2-benzisoxazol-3-amine, 5-bromo,3-amino-5-bromobenzo d isoxazole,5-bromobenzo d isoxazole-3-ylamine,5-bromanyl-1,2-benzoxazol-3-amine,1,2-benzisoxazol-3-amine,5-bromo PubChem CID: 33589610 IUPAC Name: 5-bromo-1,2-benzoxazol-3-amine SMILES: NC1=NOC2=CC=C(Br)C=C12

PubChem CID 33589610
CAS 455280-00-9
Molecular Weight (g/mol) 213.03
MDL Number MFCD09834823
SMILES NC1=NOC2=CC=C(Br)C=C12
Synonym 5-bromobenzo d isoxazol-3-ylamine,5-bromobenzo d isoxazol-3-amine,5-bromo-1,2-benzisoxazol-3-ylamine,1,2-benzisoxazol-3-amine, 5-bromo,3-amino-5-bromobenzo d isoxazole,5-bromobenzo d isoxazole-3-ylamine,5-bromanyl-1,2-benzoxazol-3-amine,1,2-benzisoxazol-3-amine,5-bromo
IUPAC Name 5-bromo-1,2-benzoxazol-3-amine
InChI Key BGMYWBQEKIMHGU-UHFFFAOYSA-N
Molecular Formula C7H5BrN2O
3
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1,2-Benzisoxazole, 95%

CAS: 271-95-4 Molecular Formula: C7H5NO Molecular Weight (g/mol): 119.123 MDL Number: MFCD00005852 InChI Key: KTZQTRPPVKQPFO-UHFFFAOYSA-N Synonym: 1,2-benzisoxazole,benzo d isoxazole,indoxazene,benzisoxazole,benz d isoxazole,4,5-benzisoxazole,1-oxa-2-aza-1h-indene,benzoisoxazole,indoxazine,isoindoxazine PubChem CID: 71073 ChEBI: CHEBI:51554 IUPAC Name: 1,2-benzoxazole SMILES: C1=CC=C2C(=C1)C=NO2

PubChem CID 71073
CAS 271-95-4
Molecular Weight (g/mol) 119.123
ChEBI CHEBI:51554
MDL Number MFCD00005852
SMILES C1=CC=C2C(=C1)C=NO2
Synonym 1,2-benzisoxazole,benzo d isoxazole,indoxazene,benzisoxazole,benz d isoxazole,4,5-benzisoxazole,1-oxa-2-aza-1h-indene,benzoisoxazole,indoxazine,isoindoxazine
IUPAC Name 1,2-benzoxazole
InChI Key KTZQTRPPVKQPFO-UHFFFAOYSA-N
Molecular Formula C7H5NO
4
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5-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride, 96%

CAS: 84163-16-6 Molecular Formula: C12H14ClFN2O Molecular Weight (g/mol): 256.705 MDL Number: MFCD06200879 InChI Key: HSOJFILHZZEWJT-UHFFFAOYSA-N Synonym: 5-fluoro-3-piperidin-4-yl benzo d isoxazole hydrochloride,5-fluoro-3-piperidin-4-yl-1,2-benzisoxazole hydrochloride,5-fluoro-3-4-piperidinyl-1,2-benzisoxazole hydrochloride,5-fluoro-3-piperidin-4-yl-1,2-benzoxazole hydrochloride,5-fluoro-3-piperidin-4-yl benzo d isoxazole hcl,4-5-fluoro-1,2-benzisoxazol-3-yl piperidine hydrochloride,1,2-benzisoxazole,5-fluoro-3-4-piperidinyl-, hydrochloride,pubchem11469,5-fluoro-3-piperidin-4-yl benzisoxazole hcl salt,5-fluoro-3-4-piperidyl benzo d isoxazole, chloride PubChem CID: 2794754 IUPAC Name: 5-fluoro-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride SMILES: C1CNCCC1C2=NOC3=C2C=C(C=C3)F.Cl

PubChem CID 2794754
CAS 84163-16-6
Molecular Weight (g/mol) 256.705
MDL Number MFCD06200879
SMILES C1CNCCC1C2=NOC3=C2C=C(C=C3)F.Cl
Synonym 5-fluoro-3-piperidin-4-yl benzo d isoxazole hydrochloride,5-fluoro-3-piperidin-4-yl-1,2-benzisoxazole hydrochloride,5-fluoro-3-4-piperidinyl-1,2-benzisoxazole hydrochloride,5-fluoro-3-piperidin-4-yl-1,2-benzoxazole hydrochloride,5-fluoro-3-piperidin-4-yl benzo d isoxazole hcl,4-5-fluoro-1,2-benzisoxazol-3-yl piperidine hydrochloride,1,2-benzisoxazole,5-fluoro-3-4-piperidinyl-, hydrochloride,pubchem11469,5-fluoro-3-piperidin-4-yl benzisoxazole hcl salt,5-fluoro-3-4-piperidyl benzo d isoxazole, chloride
IUPAC Name 5-fluoro-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride
InChI Key HSOJFILHZZEWJT-UHFFFAOYSA-N
Molecular Formula C12H14ClFN2O
5

eMolecules​ 7312-10-9 | 5-Bromobenzo[b]thiophene-2-carboxylic acid | Ambeed | MFCD01929338 | 257.100 | C9H5BrO2S | 95.000 | OC(=O)c1cc2cc(Br)ccc2s1 | 5g | 570569866

5-Bromobenzo[b]thiophene-2-carboxylic acid | Ambeed | 7312-10-9 | MFCD01929338 | 257.100 | C9H5BrO2S | 95.000 | OC(=O)c1cc2cc(Br)ccc2s1 | 5g | 570569866

ENCOMPASS_PREFERRED
6

eMolecules​ 7312-10-9 | 5-Bromobenzo[b]thiophene-2-carboxylic acid | Ambeed | MFCD01929338 | 257.100 | C9H5BrO2S | 95.000 | OC(=O)c1cc2cc(Br)ccc2s1 | 100g | 586451154

5-Bromobenzo[b]thiophene-2-carboxylic acid | Ambeed | 7312-10-9 | MFCD01929338 | 257.100 | C9H5BrO2S | 95.000 | OC(=O)c1cc2cc(Br)ccc2s1 | 100g | 586451154

ENCOMPASS_PREFERRED
7

eMolecules​ 7312-10-9 | 5-Bromobenzo[b]thiophene-2-carboxylic acid | Ambeed | MFCD01929338 | 257.100 | C9H5BrO2S | 95.000 | OC(=O)c1cc2cc(Br)ccc2s1 | 10g | 572825005

5-Bromobenzo[b]thiophene-2-carboxylic acid | Ambeed | 7312-10-9 | MFCD01929338 | 257.100 | C9H5BrO2S | 95.000 | OC(=O)c1cc2cc(Br)ccc2s1 | 10g | 572825005

ENCOMPASS_PREFERRED
8

eMolecules​ 7312-10-9 | 5-Bromobenzo[b]thiophene-2-carboxylic acid | Apollo Scientific | MFCD01929338 | 257.100 | C9H5BrO2S | 95.000 | OC(=O)c1cc2cc(Br)ccc2s1 | 1g | 571000071

5-Bromobenzo[b]thiophene-2-carboxylic acid | Apollo Scientific | 7312-10-9 | MFCD01929338 | 257.100 | C9H5BrO2S | 95.000 | OC(=O)c1cc2cc(Br)ccc2s1 | 1g | 571000071

ENCOMPASS_PREFERRED
9

eMolecules​ 59247-47-1 | tert-Butyl 4-bromobenzoate | Oakwood Chemicals | MFCD00093266 | 257.127 | C11H13BrO2 | 97.000 | CC(C)(C)OC(=O)c1ccc(Br)cc1 | 250mg | 486554874

tert-Butyl 4-bromobenzoate | Oakwood Chemicals | 59247-47-1 | MFCD00093266 | 257.127 | C11H13BrO2 | 97.000 | CC(C)(C)OC(=O)c1ccc(Br)cc1 | 250mg | 486554874

ENCOMPASS_PREFERRED
10

Sigma Aldrich 5-Ethynylpyrimidine

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

ENCOMPASS ENCOMPASS_PREFERRED
CAS 153286-94-3
11

Sigma Aldrich 3,5-Dihydroxybenzyl alcohol

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

ENCOMPASS ENCOMPASS_PREFERRED
CAS 29654-55-5
12

Sigma Aldrich 5-Phenyl-2-furaldehyde

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

ENCOMPASS ENCOMPASS_PREFERRED
CAS 13803-39-9
13

Sigma Aldrich 2-Amino-4-(trifluoromethyl)benzoic acid

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

ENCOMPASS ENCOMPASS_PREFERRED
CAS 402-13-1
14

Cayman Chemical Benzisoxazole Hsp90 Inhibitor
SDP

An Hsp90 inhibitor (IC50 = 30 nM in a fluorescence polarization assay); selective for Hsp90 over a panel of kinases (IC50s = >20 µM); inhibits the proliferation of HCT116, SK-BR-3, LNCaP, DU145, and H157 cancer cells (IC50s = 0.28, 0.37, 0.17, 0.29, and 0.23 µM, respectively); induces degradation of HER2 and the androgen receptor in SK-BR-3 and LNCaP cells, respectively (IC50 = 0.33 µM for both)

ENCOMPASS_PREFERRED
15

Cayman Chemical Benzisoxazole Hsp90 Inhibitor
SDP

An Hsp90 inhibitor (IC50 = 30 nM in a fluorescence polarization assay); selective for Hsp90 over a panel of kinases (IC50s = >20 µM); inhibits the proliferation of HCT116, SK-BR-3, LNCaP, DU145, and H157 cancer cells (IC50s = 0.28, 0.37, 0.17, 0.29, and 0.23 µM, respectively); induces degradation of HER2 and the androgen receptor in SK-BR-3 and LNCaP cells, respectively (IC50 = 0.33 µM for both)

ENCOMPASS_PREFERRED