C686-0605 Screening compound: 3-cyclopentaneamido-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide

C686-0605 Screening compound: 3-cyclopentaneamido-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide
C686-0605 Screening compound: 3-cyclopentaneamido-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C686-0605
3-cyclopentaneamido-N-(3-fluorophenyl)-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

C686-0605

Molecular Formula

C21H19FN2O3 (C21 H19 FN2 O3)

Compound Name

3-cyclopentaneamido-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide

IUPAC name

3-cyclopentaneamido-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide

SMILES

O=C(C1CCCC1)Nc1c(C(Nc2cccc(F)c2)=O)oc2c1cccc2

InChI

InChI=1S/C21H19FN2O3/c22-14-8-5-9-15(12-14)23-21(26)19-18(16-10-3-4-11-17(16)27-19)24-20(25)13-6-1-2-7-13/h3-5,8-13H,1-2,6-7H2,(H,23,26)(H,24,25)

InChI Key

QLTSWSDETCHHCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05713743

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.39

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

4.484

Distribution Coefficient, logD

4.481

Water Solubility, LogSw

-4.48

Polar Surface Area

54.109

Acid Dissociation Constant (pKa)

9.61

Base Dissociation Constant (pKb)

-1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C686-0605 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 C686-0605 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C686-0605?
Check Price and Availability of C686-0605, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C686-0605 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C686-0605
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C686-0605
  • 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 C686-0605 available by request