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PFI-4

CAT: 0931-T1973-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T1973-02Size:1 mL - 10 mM (in DMSO)
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
900305-37-5
Target
Epigenetic Reader Domain
Related Pathways
Chromatin/Epigenetic
Purity
0.9953
Bioactivity
PFI-4 is a potent and selective and cell-permeable BRPF1 bromodomain inhibitor.
Smiles
COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCCC1
Molecular Formula
C21H24N4O3
Molecular Weight
380.44
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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...
View on PubChemRaw 3D data
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

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