C686-0423 Screening compound: N-(4-methoxyphenyl)-3-[2-(trifluoromethyl)benzamido]-1-benzofuran-2-carboxamide

C686-0423 Screening compound: N-(4-methoxyphenyl)-3-[2-(trifluoromethyl)benzamido]-1-benzofuran-2-carboxamide
C686-0423 Screening compound: N-(4-methoxyphenyl)-3-[2-(trifluoromethyl)benzamido]-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C686-0423
N-(4-methoxyphenyl)-3-[2-(trifluoromethyl)benzamido]-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

C686-0423

Molecular Formula

C24H17F3N2O4 (C24 H17 F3 N2 O4)

Compound Name

N-(4-methoxyphenyl)-3-[2-(trifluoromethyl)benzamido]-1-benzofuran-2-carboxamide

IUPAC name

N-(4-methoxyphenyl)-3-[2-(trifluoromethyl)benzamido]-1-benzofuran-2-carboxamide

SMILES

COc(cc1)ccc1NC(c(oc1c2cccc1)c2NC(c1c(C(F)(F)F)cccc1)=O)=O

InChI

InChI=1S/C24H17F3N2O4/c1-32-15-12-10-14(11-13-15)28-23(31)21-20(17-7-3-5-9-19(17)33-21)29-22(30)16-6-2-4-8-18(16)24(25,26)27/h2-13H,1H3,(H,28,31)(H,29,30)

InChI Key

ADUXNLMKGJDIHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05893267

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.588

Distribution Coefficient, logD

2.801

Water Solubility, LogSw

-4.51

Polar Surface Area

61.095

Acid Dissociation Constant (pKa)

5.62

Base Dissociation Constant (pKb)

0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

C686-0423 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

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 C686-0423 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C686-0423?
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What is the minimum amount of C686-0423 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C686-0423
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C686-0423
  • 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 C686-0423 available by request