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Chemical structure of Simeprevir

GC17270

Simeprevir

Also known as (1R,4R,6S,7Z,15R,17R)-N-cyclopropylsulfonyl-17-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxamide

A potent NS3/4A protease inhibitor

ChemicalCAS923604-59-5MW749.96FormulaC38H47N5O7S2
CAS number
923604-59-5
Molecular weight
749.96
Formula
C38H47N5O7S2
Solubility
≥ 18·75 mg/mL in DMSO
InChIKey
JTZZSQYMACOLNN-VDWJNHBNSA-N
Catalogue number
GC17270
Brand
GLPBIO
Computed properties PubChem CID 24873435 · XLogP 4.8 · TPSA 194 Ų · H-bond donors 2
XLogP
4.8
TPSA
194 Ų
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
8
Heavy atoms
52

SMILES CC1=C(C=CC2=C1N=C(C=C2O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(CCCC/C=C\[C@@H]5C[C@]5(NC4=O)C(=O)NS(=O)(=O)C6CC6)C)C7=NC(=CS7)C(C)C)OC

Computed descriptors from PubChem (CID 24873435), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
Ships from the manufacturer to your lab in 8–14 business days; customs and cold chain handled by LABO Scientific.
Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
Who we serve
Universities, hospitals and biotech companies across Israel. Research use only — not for diagnostic or therapeutic use.