C686-0676 Screening compound: 3-[2-(benzylsulfanyl)acetamido]-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide

C686-0676 Screening compound: 3-[2-(benzylsulfanyl)acetamido]-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide
C686-0676 Screening compound: 3-[2-(benzylsulfanyl)acetamido]-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C686-0676
3-[2-(benzylsulfanyl)acetamido]-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

C686-0676

Molecular Formula

C24H19FN2O3S (C24 H19 FN2 O3 S)

Compound Name

3-[2-(benzylsulfanyl)acetamido]-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide

IUPAC name

3-[2-(benzylsulfanyl)acetamido]-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide

SMILES

O=C(CSCc1ccccc1)Nc1c(C(Nc2cc(F)ccc2)=O)oc2c1cccc2

InChI

InChI=1S/C24H19FN2O3S/c25-17-9-6-10-18(13-17)26-24(29)23-22(19-11-4-5-12-20(19)30-23)27-21(28)15-31-14-16-7-2-1-3-8-16/h1-13H,14-15H2,(H,26,29)(H,27,28)

InChI Key

DFLIOULRTDOXJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05713771

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.124

Distribution Coefficient, logD

5.119

Water Solubility, LogSw

-5.71

Polar Surface Area

53.338

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

-1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

C686-0676 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C686-0676 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C686-0676?
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What is the minimum amount of C686-0676 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C686-0676
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C686-0676
  • 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 C686-0676 available by request