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CPI571

CAT: 0931-T27071-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T27071-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1904647-34-2
Target
Others
Related Pathways
Others
Bioactivity
CPI571 is a potent and selective inhibitor for the bromodomains of CREBBP/EP300.
Smiles
C(=C/C1=C(S(N)(=O)=O)C=CC=C1)\C2=C3C(NC(=O)C[C@@H](C)N3)=CC=C2
Molecular Formula
C18H19N3O3S
Molecular Weight
357.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-[(E)-2-[(4R)-4-methyl-
CAS Number1904647-34-2
PubChem CID121278065
IUPAC Name2-[(E)-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]ethenyl]benzenesulfonamide
Molecular FormulaC18H19N3O3S
Molecular Weight357.4
XLogP2.1
Topological Polar Surface Area110
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity614
SMILES
C[C@@H]1CC(=O)NC2=CC=CC(=C2N1)/C=C/C3=CC=CC=C3S(=O)(=O)N
InChI
InChI=1S/C18H19N3O3S/c1-12-11-17(22)21-15-7-4-6-14(18(15)20-12)10-9-13-5-2-3-8-16(13)25(19,23)24/h2-10,12,20H,11H2,1H3,(H,21,22)(H2,19,23,24)/b10-9+/t12-/m1/s1
InChIKey
YQMIISZXXWVLTM-BZYZDCJZSA-N
Chemical Structure
2D Structure
2D structure of 2-[(E)-2-[(4R)-4-methyl-
CAS: 1904647-34-2
CID: 121278065
Formula: C18H19N3O3S
MW: 357.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight357.4
XLogP32.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass357.11471265
Monoisotopic Mass357.11471265
Topological Polar Surface Area110 Ų
Heavy Atom Count25
Formal Charge0
Complexity614
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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