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PF-CBP1 hydrochloride

CAT: 0607-B6197-200Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0607-B6197-200Size:200 mg
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Description
CBP/p300 bromodomain inhibitor
CAS Number
2070014-93-4
Product Name Alternative
4-(2-(5-(3,5-dimethylisoxazol-4-yl)-2-(4-propoxyphenethyl)-1H-benzo[d]imidazol-1-yl)ethyl)morpholine hydrochloride
Field of Research
Chromatin Epigenetics Bromodomain
Purity
0.9763
Form
A solid
Solubility
≥52.5 mg/mL in DMSO; insoluble in H2O; ≥40.6 mg/mL in EtOH
Smiles
CCCOC1=CC=C(CCC2=NC3=CC(C4=C(C)ON=C4C)=CC=C3N2CCN5CCOCC5)C=C1.Cl
Molecular Formula
C29H37ClN4O3
Molecular Weight
525.08
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

PF-CBP1 HCl
CAS Number2070014-93-4
PubChem CID119081416
IUPAC Name4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-propoxyphenyl)ethyl]benzimidazol-1-yl]ethyl]morpholine;hydrochloride
Molecular FormulaC29H37ClN4O3
Molecular Weight525.1
Topological Polar Surface Area65.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count37
Formal Charge0
Complexity654
SMILES
CCCOC1=CC=C(C=C1)CCC2=NC3=C(N2CCN4CCOCC4)C=CC(=C3)C5=C(ON=C5C)C.Cl
InChI
InChI=1S/C29H36N4O3.ClH/c1-4-17-35-25-9-5-23(6-10-25)7-12-28-30-26-20-24(29-21(2)31-36-22(29)3)8-11-27(26)33(28)14-13-32-15-18-34-19-16-32;/h5-6,8-11,20H,4,7,12-19H2,1-3H3;1H
InChIKey
HFOZCHHWLMTUTP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PF-CBP1 HCl
CAS: 2070014-93-4
CID: 119081416
Formula: C29H37ClN4O3
MW: 525.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight525.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass524.2554187
Monoisotopic Mass524.2554187
Topological Polar Surface Area65.6 Ų
Heavy Atom Count37
Formal Charge0
Complexity654
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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