Name: Name:4H-Isoxazolo[5,4-d][2]benzazepine-4-acetamide, 6-(4-chlorophenyl)-1-methyl-, (4S)-
Brand: Angene
SKU: AG0017TH
Rating: 90 (10 reviews)

4H-Isoxazolo[5,4-d][2]benzazepine-4-acetamide, 6-(4-chlorophenyl)-1-methyl-, (4S)-

CAS No.:

1380087-89-7

Catalog Number:

AG0017TH

Molecular Formula:

C20H16ClN3O2

Molecular Weight:

365.8129

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Product Description

Catalog Number:

AG0017TH

Chemical Name:

4H-Isoxazolo[5,4-d][2]benzazepine-4-acetamide, 6-(4-chlorophenyl)-1-methyl-, (4S)-

CAS Number:

1380087-89-7

Molecular Formula:

C20H16ClN3O2

Molecular Weight:

365.8129

MDL Number:

MFCD28144505

IUPAC Name:

2-[(4S)-6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide

InChI:

InChI=1S/C20H16ClN3O2/c1-11-18-14-4-2-3-5-15(14)19(12-6-8-13(21)9-7-12)23-16(10-17(22)25)20(18)26-24-11/h2-9,16H,10H2,1H3,(H2,22,25)/t16-/m0/s1

InChI Key:

GCWIQUVXWZWCLE-INIZCTEOSA-N

SMILES:

NC(=O)C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(c3c1onc3C)cccc2

UNII:

U4017GUQ06

Properties

Complexity:

561

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

365.093g/mol

Formal Charge:

Heavy Atom Count:

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Isotope Atom Count:

Molecular Weight:

365.817g/mol

Monoisotopic Mass:

365.093g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

81.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Identification of a Benzoisoxazoloazepine Inhibitor (CPI-0610) of the Bromodomain and Extra-Terminal (BET) Family as a Candidate for Human Clinical Trials.	Journal of medicinal chemistry 20160225

Properties