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HAT Inhibitor II

CAT: 0607-C5000-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-C5000-25Size:25 mg
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Description
inhibitor of the histone acetyltransferase p300
CAS Number
932749-62-7
Product Name Alternative
2,6-bis[(3-bromo-4-hydroxyphenyl)methylene]-cyclohexanone
Sequence
Histone Acetyltransferase Inhibitor II
Field of Research
Chromatin Epigenetics Histone Acetyltransferases
Purity
0.98
Form
A crystalline solid
Solubility
≤20mg/ml in ethanol;30mg/ml in DMSO;50mg/ml in dimethyl formamide
Smiles
BrC1=C(O)C=CC(/C=C2CCC/C(C\2=O)=C\C3=CC(Br)=C(O)C=C3)=C1
Molecular Formula
C20H16Br2O3
Molecular Weight
464.2
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Histone Acetyltransferase Inhibitor II
CAS Number932749-62-7
PubChem CID16203606
IUPAC Name(2E,6E)-2,6-bis[(3-bromo-4-hydroxyphenyl)methylidene]cyclohexan-1-one
Molecular FormulaC20H16Br2O3
Molecular Weight464.1
XLogP5.7
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity511
SMILES
C1C/C(=C\C2=CC(=C(C=C2)O)Br)/C(=O)/C(=C/C3=CC(=C(C=C3)O)Br)/C1
InChI
InChI=1S/C20H16Br2O3/c21-16-10-12(4-6-18(16)23)8-14-2-1-3-15(20(14)25)9-13-5-7-19(24)17(22)11-13/h4-11,23-24H,1-3H2/b14-8+,15-9+
InChIKey
YOLKEKNTCBWPSD-VOMDNODZSA-N
Chemical Structure
2D Structure
2D structure of Histone Acetyltransferase Inhibitor II
CAS: 932749-62-7
CID: 16203606
Formula: C20H16Br2O3
MW: 464.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight464.1
XLogP35.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass463.94457
Monoisotopic Mass461.94662
Topological Polar Surface Area57.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity511
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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