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PFI-4

CAT: 1410-M16470-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1410-M16470-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A potent, selective inhibitor of the BRPF1 bromodomain with pIC50 of 7.3.
CAS Number
900305-37-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
380.4402
Molecular Formula
C21H24N4O3
Notes
Research use only, not for human use.
Receptor
BRPF1|BRPF2|BRPF3

Chemical Information

Pfi-4
CAS Number900305-37-5
PubChem CID40642506
IUPAC NameN-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-methoxybenzamide
Molecular FormulaC21H24N4O3
Molecular Weight380.4
XLogP2.3
Topological Polar Surface Area65.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity594
SMILES
CN1C2=C(C=C(C(=C2)NC(=O)C3=CC=CC=C3OC)N4CCCC4)N(C1=O)C
InChI
InChI=1S/C21H24N4O3/c1-23-17-12-15(22-20(26)14-8-4-5-9-19(14)28-3)16(25-10-6-7-11-25)13-18(17)24(2)21(23)27/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3,(H,22,26)
InChIKey
QCIJLRJBZDBVDB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pfi-4
CAS: 900305-37-5
CID: 40642506
Formula: C21H24N4O3
MW: 380.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight380.4
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass380.18484064
Monoisotopic Mass380.18484064
Topological Polar Surface Area65.1 Ų
Heavy Atom Count28
Formal Charge0
Complexity594
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