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JTK-109

CAT: 0013-GTR19197394-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197394-05Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
JTK-109 is a small molecule inhibitor targeting the hepatitis C virus NS5B RNA-dependent RNA polymerase. It demonstrates inhibitory activity against HCV genotypes 1b and 3a in subgenomic replicon assays and against recombinant enzymes. This compound is a valuable tool for antiviral research in both in vitro and in vivo experimental models.
CAS Number
480462-62-2
Product Name Alternative
HCV Protease, HCVProtease, JTK109, JTK-109, JTK 109, NS5B polymerase
Field of Research
Infectious Disease & Virology, Protein Biochemistry
Purity
98.48% (May vary between batches)
Solubility
DMSO:6.39 mg/mL (10.01 mM)
Smiles
FC1=C (C=2N (C=3C (N2) =CC (C (O) =O) =CC3) C4CCCCC4) C=CC (OCC5=C (C=CC (=C5) N6C (=O) CCC6) C7=CC=C (Cl) C=C7) =C1
Molecular Formula
C37H33ClFN3O4
Molecular Weight
638.13
Storage Conditions
-20°C
Notes
For research use only.

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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