C686-0646 Screening compound: 3-(2,6-difluorobenzamido)-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide

C686-0646 Screening compound: 3-(2,6-difluorobenzamido)-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide
C686-0646 Screening compound: 3-(2,6-difluorobenzamido)-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C686-0646
3-(2,6-difluorobenzamido)-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

C686-0646

Molecular Formula

C22H13F3N2O3 (C22 H13 F3 N2 O3)

Compound Name

3-(2,6-difluorobenzamido)-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide

IUPAC name

3-(26-difluorobenzamido)-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide

SMILES

O=C(c(oc1c2cccc1)c2NC(c(c(F)ccc1)c1F)=O)Nc1cc(F)ccc1

InChI

InChI=1S/C22H13F3N2O3/c23-12-5-3-6-13(11-12)26-22(29)20-19(14-7-1-2-10-17(14)30-20)27-21(28)18-15(24)8-4-9-16(18)25/h1-11H,(H,26,29)(H,27,28)

InChI Key

AJOAQVLNVYDTHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05713767

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.35

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

4.681

Distribution Coefficient, logD

4.036

Water Solubility, LogSw

-5.02

Polar Surface Area

53.551

Acid Dissociation Constant (pKa)

6.87

Base Dissociation Constant (pKb)

-0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

C686-0646 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C686-0646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C686-0646?
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What is the minimum amount of C686-0646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C686-0646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C686-0646
  • 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 C686-0646 available by request