C686-1184 Screening compound: 3-cyclopentaneamido-N-(4-methylphenyl)-1-benzofuran-2-carboxamide

C686-1184 Screening compound: 3-cyclopentaneamido-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
C686-1184 Screening compound: 3-cyclopentaneamido-N-(4-methylphenyl)-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C686-1184
3-cyclopentaneamido-N-(4-methylphenyl)-1-benzofuran-2-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C686-1184

Molecular Formula

C22H22N2O3 (C22 H22 N2 O3)

Compound Name

3-cyclopentaneamido-N-(4-methylphenyl)-1-benzofuran-2-carboxamide

IUPAC name

3-cyclopentaneamido-N-(4-methylphenyl)-1-benzofuran-2-carboxamide

SMILES

Cc(cc1)ccc1NC(c(oc1c2cccc1)c2NC(C1CCCC1)=O)=O

InChI

InChI=1S/C22H22N2O3/c1-14-10-12-16(13-11-14)23-22(26)20-19(17-8-4-5-9-18(17)27-20)24-21(25)15-6-2-3-7-15/h4-5,8-13,15H,2-3,6-7H2,1H3,(H,23,26)(H,24,25)

InChI Key

QQENOFZFOVMYAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05893347

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.754

Distribution Coefficient, logD

4.751

Water Solubility, LogSw

-4.68

Polar Surface Area

54.109

Acid Dissociation Constant (pKa)

9.61

Base Dissociation Constant (pKb)

2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C686-1184 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

Antiviral Library (67538 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C686-1184 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C686-1184?
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What is the minimum amount of C686-1184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C686-1184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C686-1184
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C686-1184 available by request