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Screening compounds

Nesbuvir

Also known as HCV 796, 5-cyclopropyl-2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide, 5-Cyclopropyl-2-(4-fluorophenyl)-6-((2-hydroxyethyl)(methylsulfonyl)amino)-N-methyl-1-benzofuran-3-carboxamide

CAS 691852-58-1Formula C22H23FN2O5SMolar mass 446.50 g/mol
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Nesbuvir chemical structure, C22H23FN2O5S, CAS 691852-58-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
691852-58-1
Formula
C22H23FN2O5S
Molar mass
446.50 g/mol
HS code
293590
Category
Screening compounds

What is Nesbuvir?

Plain description, key identifiers and synonyms

Nesbuvir is a non-nuceoside polymerase inhibitor with activity against hepatitis C virus (HCV). Nesbuvir binds to the palm site II pocket of HCV NS5B polymerase and inhibits viral genome replication.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-cyclopropyl-2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide
CAS number
691852-58-1 CAS number cross-checked
Molecular formula
C22H23FN2O5S
UNII
EYK815W3Z8
MDL number
MFCD22208574
InChIKey
WTDWVLJJJOTABN-UHFFFAOYSA-N
InChI
InChI=1S/C22H23FN2O5S/c1-24-22(27)20-17-11-16(13-3-4-13)18(25(9-10-26)31(2,28)29)12-19(17)30-21(20)14-5-7-15(23)8-6-14/h5-8,11-13,26H,3-4,9-10H2,1-2H3,(H,24,27)
SMILES (canonical and isomeric)
CNC(=O)C1=C(OC2=CC(=C(C=C21)C3CC3)N(CCO)S(=O)(=O)C)C4=CC=C(C=C4)F

Synonyms

  • HCV 796
  • 5-cyclopropyl-2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide
  • 5-Cyclopropyl-2-(4-fluorophenyl)-6-((2-hydroxyethyl)(methylsulfonyl)amino)-N-methyl-1-benzofuran-3-carboxamide
  • 5-Cyclopropyl-2-(4-Fluorophenyl)-6-[(2-Hydroxyethyl)(Methylsulfonyl)amino]-N-Methyl-1-Benzofuran-3-Carboxamide
  • nesbuvirum
  • 5-cyclopropyl-2-(4-fluorophenyl)-6-(2-hydroxyethyl(methylsulfonyl)amino)-N-methyl-1-benzofuran-3-carboxamide
  • Nesbuvir (USAN)
  • 5-cyclopropyl-2-(4-fluorophenyl)-6-[N-(2-hydroxyethyl)methanesulfonamido]-N-methyl-1-benzofuran-3-carboxamide
  • 3-Benzofurancarboxamide, 5-cyclopropyl-2-(4-fluorophenyl)-6-((2-hydroxyethyl)(methylsulfonyl)amino)-N-methyl-
  • 5-Cyclopropyl-2-(4-fluoro-phenyl)-6-[(2-hydroxy-ethyl)-methanesulfonyl-amino]-benzofuran-3-carboxylic acid methylamide
  • 5-cyclopropyl-2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-benzofuran-3-carboxamide
  • 3fqk
  • 3fql
  • Nesbuvir, HCV-796
  • 5-cyclopropyl-2-(4-fluorophenyl)-6-[(2-hydroxyethyl)(methylsulfonyl)amino]-N-methyl-3-benzofurancarboxamide

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
446.50 g/molcalc.
Exact mass
446.1312 Dacalc.
LogP (octanol/water)
3.23calc.
Topological polar surface area
99.85 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
7calc.
Heavy atoms
31calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.32calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccc(-c2cc3cc(C4CC4)ccc3o2)cc1

c1ccc(-c2cc3cc(C4CC4)ccc3o2)cc1

4 rings, 18 atoms.

12 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Nesbuvir suppliers

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Nesbuvir price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Roles

  • antimicrobial agent
  • antiviral agent

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Nesbuvir is traded under.

HS 2935.90Indicative HS code

Sulphonamides, other

World exports in 2024
$5.64B
−11.0% vs 2023, imports $8.56B
2019 to 2024
Top exporters
  1. Ireland43.1%
  2. China12.0%
  3. India * partner reported9.5%
Top importers
  1. United States23.6%
  2. Slovenia19.1%
  3. Spain11.7%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Nesbuvir is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Nesbuvir, based on the data on this page

What is Nesbuvir?

Nesbuvir is a non-nuceoside polymerase inhibitor with activity against hepatitis C virus (HCV). Nesbuvir binds to the palm site II pocket of HCV NS5B polymerase and inhibits viral genome replication.

What is the CAS number of Nesbuvir?

The CAS registry number of Nesbuvir is 691852-58-1.

What is the molecular formula and weight of Nesbuvir?

The molecular formula of Nesbuvir is C22H23FN2O5S and its molar mass is 446.50 g/mol.

What is Nesbuvir used for?

Known uses and roles of Nesbuvir include building blocks in research and laboratory, screening compounds in research and laboratory, antimicrobial agent and antiviral agent.

Is Nesbuvir hazardous?

No GHS hazard classification for Nesbuvir is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Nesbuvir?

Nesbuvir is usually classified under HS code 293590 (Sulphonamides, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Nesbuvir?

Post a free request on CompoundList and suppliers of Nesbuvir will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Nesbuvir?

Suppliers quote Nesbuvir on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Nesbuvir

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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