JTK-109

CAT: 0931-T27696-04Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No

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CAT#:0931-T27696-04Size:1 mL - 10 mM (in DMSO)

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

480462-62-2

Target

HCV Protease

Related Pathways

Proteases/Proteasome, Microbiology/Virology

Purity

0.9968

Bioactivity

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.

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

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Jtk-109

CAS Number	480462-62-2
PubChem CID	11686018
IUPAC Name	2-[4-[[2-(4-chlorophenyl)-5-(2-oxopyrrolidin-1-yl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid
Molecular Formula	C37H33ClFN3O4
Molecular Weight	638.1
XLogP	7.6
Topological Polar Surface Area	84.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Heavy Atom Count	46
Formal Charge	0
Complexity	1050

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

CAS: 480462-62-2

CID: 11686018

Formula: C37H33ClFN3O4

MW: 638.1

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	638.1
XLogP3	7.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Exact Mass	637.2143624
Monoisotopic Mass	637.2143624
Topological Polar Surface Area	84.7 Å²
Heavy Atom Count	46
Formal Charge	0
Complexity	1050
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
T15631-01	JTK-853
T24221-01	JTK-101
T13902-01	SSF-109
T12073-01	ML-109
T80643-01	BEBT-109
T12905-01	SI-109
T1960-01	YL-109
T25449	GF 109
T26033-01	RAC 109
T27747-01	KRP-109

Alternative Products

Catalog	Name
MBS5777403	JTK-109
ENB38909-01	JTK-853
MBS5773972	JTK-101
A20639-50	JTK-853 50mg
A20639-25	JTK-853 25mg
A20639-1	JTK-853 1mg
A20639-100	JTK-853 100mg
A20639-10	JTK-853 10mg
A20639-5	JTK-853 5mg
MBS575592	Elvitegravir(GS-9137, JTK-303)

JTK-109

Chemical Information

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