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MS436

CAT: 0013-GTR19163321-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19163321-01Size:1 g
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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
Product Name Alternative
MS436 | MS-436 | MS 436
Purity
>98% (HPLC)
Solubility
Ethanol: 1 mg/mL warmed (2.6 mM) ; DMSO: 55 mg/mL (143.44 mM)
Smiles
O=S (C1=CC=C (/N=N/C2=CC (C) =C (O) C=C2N) C=C1) (NC3=NC=CC=C3) =O
Molecular Formula
C18H17N5O3S
Molecular Weight
383.42
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
(E) -4-[2- (2-Amino-4-hydroxy-5-methylphenyl) diazenyl]-N-2-pyridinylbenzenesulfonamide

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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HY-13959-01MS436
A13749-500MS436 500mg
A13749-10MS436 10mg
A13749-100MS436 100mg
A13749-50MS436 50mg
A13749-25MS436 25mg
A13749-5MS436 5mg

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