C686-0205 Screening compound: 3-[2-(benzylsulfanyl)acetamido]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide

C686-0205 Screening compound: 3-[2-(benzylsulfanyl)acetamido]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide
C686-0205 Screening compound: 3-[2-(benzylsulfanyl)acetamido]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C686-0205
3-[2-(benzylsulfanyl)acetamido]-N-(2-methoxyphenyl)-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

C686-0205

Molecular Formula

C25H22N2O4S (C25 H22 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cccc1)c1NC(c(oc1c2cccc1)c2NC(CSCc1ccccc1)=O)=O

InChI

InChI=1S/C25H22N2O4S/c1-30-21-14-8-6-12-19(21)26-25(29)24-23(18-11-5-7-13-20(18)31-24)27-22(28)16-32-15-17-9-3-2-4-10-17/h2-14H,15-16H2,1H3,(H,26,29)(H,27,28)

InChI Key

HCPOOBLMPRUCEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05893175

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.922

Distribution Coefficient, logD

4.917

Water Solubility, LogSw

-4.86

Polar Surface Area

60.270

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

C686-0205 in Drug Discovery

Included in Screening Libraries

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 C686-0205 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C686-0205?
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What is the minimum amount of C686-0205 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C686-0205
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C686-0205
  • 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 C686-0205 available by request