MS436

CAT: 1410-M11651-06Size: 50 mgDry Ice: NoHazardous: No

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CAT#:1410-M11651-06Size:50 mg

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Description

MS436 is a diazobenzene-based small-molecule inhibitor for the BRD4 bromodomains with a Ki value of 30-50 nM.

CAS Number

1395084-25-9

Stability

≥ 2 years

Purity

>98% (HPLC)

Weight

383.42

Molecular Formula

C18H17N5O3S

Notes

Research use only, not for human use.

Receptor

BRD4 (1) | BRD4 (2)

Chemical Information

4-[(E)-(2-Amino-4-Hydroxy-5-Methylphenyl)diazenyl]-N-(Pyridin-2-Yl)benzenesulfonamide

CAS Number	1395084-25-9
PubChem CID	135566899
IUPAC Name	4-[(2-amino-4-hydroxy-5-methylphenyl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide
Molecular Formula	C18H17N5O3S
Molecular Weight	383.4
XLogP	2.8
Topological Polar Surface Area	138
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Heavy Atom Count	27
Formal Charge	0
Complexity	601

SMILES

CC1=CC(=C(C=C1O)N)N=NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=N3

InChI

InChI=1S/C18H17N5O3S/c1-12-10-16(15(19)11-17(12)24)22-21-13-5-7-14(8-6-13)27(25,26)23-18-4-2-3-9-20-18/h2-11,24H,19H2,1H3,(H,20,23)

InChIKey

DZTGIRNXWSZBIM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1395084-25-9

CID: 135566899

Formula: C18H17N5O3S

MW: 383.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	383.4
XLogP3	2.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	383.10521059
Monoisotopic Mass	383.10521059
Topological Polar Surface Area	138 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	601
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes