C686-0527 Screening compound: 3-(2,6-difluorobenzamido)-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide

C686-0527 Screening compound: 3-(2,6-difluorobenzamido)-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
C686-0527 Screening compound: 3-(2,6-difluorobenzamido)-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C686-0527
3-(2,6-difluorobenzamido)-N-(2-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

C686-0527

Molecular Formula

C22H13F3N2O3 (C22 H13 F3 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(oc1c2cccc1)c2NC(c(c(F)ccc1)c1F)=O)Nc(cccc1)c1F

InChI

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

InChI Key

RQAZZIPPPOTVFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05713710

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

4.506

Distribution Coefficient, logD

3.861

Water Solubility, LogSw

-4.68

Polar Surface Area

52.853

Acid Dissociation Constant (pKa)

6.87

Base Dissociation Constant (pKb)

-1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

C686-0527 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • 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 C686-0527 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C686-0527?
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What is the minimum amount of C686-0527 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C686-0527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C686-0527
  • 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 C686-0527 available by request