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PFI 4

CAT: 0607-B5973-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B5973-50Size:50 mg
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Description
Potent and selective BRPF1 Bromodomain inhibitor
CAS Number
900305-37-5
Product Name Alternative
N-(1,3-dimethyl-2-oxo-6-(pyrrolidin-1-yl)-2,3-dihydro-1H-benzo[d]imidazol-5-yl)-2-methoxybenzamide
Field of Research
Chromatin Epigenetics Bromodomain
Purity
0.9678
Form
A solid
Solubility
insoluble in H2O; ≥13.3 mg/mL in DMSO; ≥2.87 mg/mL in EtOH with gentle warming and ultrasonic
Smiles
[H]N(C(C1=CC=CC=C1OC)=O)C2=C(N3CCCC3)C=C(N(C)C(N4C)=O)C4=C2
Molecular Formula
C21H24N4O3
Molecular Weight
380.44
Shipping Conditions
Blue ice
Storage Conditions
Store at -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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