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JTK-109

CAT: 1410-M34300-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1410-M34300-04Size:25 mg
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Description
JTK-109 is an inhibitor of hepatitis C virus NS5B RNA-dependent RNA polymerase inhibitor and inhibits G1b and G3a subgenomic replicons and recombinant enzymes.
CAS Number
480462-62-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
638.13
Molecular Formula
C37H33ClFN3O4
Notes
Research use only, not for human use.
Receptor
HCV Protease

Chemical Information

Jtk-109
CAS Number480462-62-2
PubChem CID11686018
IUPAC Name2-[4-[[2-(4-chlorophenyl)-5-(2-oxopyrrolidin-1-yl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid
Molecular FormulaC37H33ClFN3O4
Molecular Weight638.1
XLogP7.6
Topological Polar Surface Area84.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count46
Formal Charge0
Complexity1050
SMILES
C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=C(C=C(C=C4)OCC5=C(C=CC(=C5)N6CCCC6=O)C7=CC=C(C=C7)Cl)F
InChI
InChI=1S/C37H33ClFN3O4/c38-26-11-8-23(9-12-26)30-15-13-28(41-18-4-7-35(41)43)19-25(30)22-46-29-14-16-31(32(39)21-29)36-40-33-20-24(37(44)45)10-17-34(33)42(36)27-5-2-1-3-6-27/h8-17,19-21,27H,1-7,18,22H2,(H,44,45)
InChIKey
NIBYCXOKANETJM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Jtk-109
CAS: 480462-62-2
CID: 11686018
Formula: C37H33ClFN3O4
MW: 638.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight638.1
XLogP37.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass637.2143624
Monoisotopic Mass637.2143624
Topological Polar Surface Area84.7 Ų
Heavy Atom Count46
Formal Charge0
Complexity1050
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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