Products for Research Use Only

MS436

CAT: 0013-GTR19177964-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19177964-01Size:2 mg
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Description
MS436 is a potent and selective small-molecule inhibitor targeting the bromodomains of BRD4. It is widely used in biochemical and cellular research to probe BET protein function and has demonstrated activity in both in vitro assays and in vivo models of inflammation and cancer.
CAS Number
1395084-25-9
Product Name Alternative
BRD4 (2), BRD4 (1), Inhibitor, EpigeneticReaderDomain, Epigenetic Reader Domain, MS436, MS-436, MS 436, inhibit
Field of Research
Epigenetics & Chromatin
Purity
95.83% (May vary between batches)
Solubility
DMSO:40 mg/mL (104.32 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:1 mg/mL (2.61 mM)
Smiles
Cc1cc (\N=N\c2ccc (cc2) S (=O) (=O) Nc2ccccn2) c (N) cc1O
Molecular Formula
C18H17N5O3S
Molecular Weight
383.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-[(E)-(2-Amino-4-Hydroxy-5-Methylphenyl)diazenyl]-N-(Pyridin-2-Yl)benzenesulfonamide
CAS Number1395084-25-9
PubChem CID135566899
IUPAC Name4-[(2-amino-4-hydroxy-5-methylphenyl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide
Molecular FormulaC18H17N5O3S
Molecular Weight383.4
XLogP2.8
Topological Polar Surface Area138
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity601
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
2D structure of 4-[(E)-(2-Amino-4-Hydroxy-5-Methylphenyl)diazenyl]-N-(Pyridin-2-Yl)benzenesulfonamide
CAS: 1395084-25-9
CID: 135566899
Formula: C18H17N5O3S
MW: 383.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight383.4
XLogP32.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass383.10521059
Monoisotopic Mass383.10521059
Topological Polar Surface Area138 Ų
Heavy Atom Count27
Formal Charge0
Complexity601
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes