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XDM-CBP

CAT: 1410-M13410-01Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1410-M13410-01Size:1 Each
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Description
A highly potent and selective inhibitor of CBP/p300 bromodomain with Kd of 0.23/0.47 uM respectively.
CAS Number
2138461-99-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
366.417
Molecular Formula
C21H22N2O4
Notes
Research use only, not for human use.
Receptor
Bromodomain

Chemical Information

Xdm-cbp
CAS Number2138461-99-9
PubChem CID129318956
IUPAC Name4-acetyl-N-[(2,8-dihydroxynaphthalen-1-yl)methyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
Molecular FormulaC21H22N2O4
Molecular Weight366.4
XLogP3.8
Topological Polar Surface Area102
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity554
SMILES
CCC1=C(NC(=C1C(=O)C)C)C(=O)NCC2=C(C=CC3=C2C(=CC=C3)O)O
InChI
InChI=1S/C21H22N2O4/c1-4-14-18(12(3)24)11(2)23-20(14)21(27)22-10-15-16(25)9-8-13-6-5-7-17(26)19(13)15/h5-9,23,25-26H,4,10H2,1-3H3,(H,22,27)
InChIKey
KCGVENSOXCWCNF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Xdm-cbp
CAS: 2138461-99-9
CID: 129318956
Formula: C21H22N2O4
MW: 366.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight366.4
XLogP33.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass366.15795719
Monoisotopic Mass366.15795719
Topological Polar Surface Area102 Ų
Heavy Atom Count27
Formal Charge0
Complexity554
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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