C686-0329 Screening compound: N-(3-methoxyphenyl)-3-[2-(3-methylphenyl)acetamido]-1-benzofuran-2-carboxamide

C686-0329 Screening compound: N-(3-methoxyphenyl)-3-[2-(3-methylphenyl)acetamido]-1-benzofuran-2-carboxamide
C686-0329 Screening compound: N-(3-methoxyphenyl)-3-[2-(3-methylphenyl)acetamido]-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C686-0329
N-(3-methoxyphenyl)-3-[2-(3-methylphenyl)acetamido]-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

C686-0329

Molecular Formula

C25H22N2O4 (C25 H22 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(CC(Nc2c(C(Nc3cc(OC)ccc3)=O)oc3c2cccc3)=O)c1

InChI

InChI=1S/C25H22N2O4/c1-16-7-5-8-17(13-16)14-22(28)27-23-20-11-3-4-12-21(20)31-24(23)25(29)26-18-9-6-10-19(15-18)30-2/h3-13,15H,14H2,1-2H3,(H,26,29)(H,27,28)

InChI Key

IXIGTJLSNNQHHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05893223

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.46

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

5.018

Distribution Coefficient, logD

5.015

Water Solubility, LogSw

-4.99

Polar Surface Area

60.881

Acid Dissociation Constant (pKa)

9.63

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

C686-0329 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 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
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Others
  • Phosphatases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C686-0329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C686-0329?
Check Price and Availability of C686-0329, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C686-0329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C686-0329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C686-0329
  • 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 C686-0329 available by request