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MS436

CAT: 0931-T1854-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T1854-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1395084-25-9
Target
Epigenetic Reader Domain
Related Pathways
Chromatin/Epigenetic
Purity
0.9892
Bioactivity
MS436 is a selective, small-molecule inhibitor for the BRD4 bromodomains.
Smiles
Cc1cc(\N=N\c2ccc(cc2)S(=O)(=O)Nc2ccccn2)c(N)cc1O
Molecular Formula
C18H17N5O3S
Molecular Weight
383.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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...
View on PubChemRaw 3D data
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

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A13749-50MS436 50mg
A13749-25MS436 25mg

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