C686-0606 Screening compound: 3-cyclohexaneamido-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide

C686-0606 Screening compound: 3-cyclohexaneamido-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide
C686-0606 Screening compound: 3-cyclohexaneamido-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C686-0606
3-cyclohexaneamido-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

C686-0606

Molecular Formula

C22H21FN2O3 (C22 H21 FN2 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(C1CCCCC1)Nc1c(C(Nc2cccc(F)c2)=O)oc2c1cccc2

InChI

InChI=1S/C22H21FN2O3/c23-15-9-6-10-16(13-15)24-22(27)20-19(17-11-4-5-12-18(17)28-20)25-21(26)14-7-2-1-3-8-14/h4-6,9-14H,1-3,7-8H2,(H,24,27)(H,25,26)

InChI Key

PCDSKBZFELMKQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05713744

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.42

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

4.818

Distribution Coefficient, logD

4.815

Water Solubility, LogSw

-5.05

Polar Surface Area

53.743

Acid Dissociation Constant (pKa)

9.61

Base Dissociation Constant (pKb)

-1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C686-0606 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C686-0606 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C686-0606?
Check Price and Availability of C686-0606, 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 C686-0606 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C686-0606
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C686-0606
  • 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 C686-0606 available by request