C686-0165 Screening compound: 3-(3,4-diethoxybenzamido)-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide

C686-0165 Screening compound: 3-(3,4-diethoxybenzamido)-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide
C686-0165 Screening compound: 3-(3,4-diethoxybenzamido)-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C686-0165
3-(3,4-diethoxybenzamido)-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

C686-0165

Molecular Formula

C27H26N2O6 (C27 H26 N2 O6)

Compound Name

3-(3,4-diethoxybenzamido)-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide

IUPAC name

3-(34-diethoxybenzamido)-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide

SMILES

CCOc(ccc(C(Nc1c(C(Nc(cccc2)c2OC)=O)oc2c1cccc2)=O)c1)c1OCC

InChI

InChI=1S/C27H26N2O6/c1-4-33-22-15-14-17(16-23(22)34-5-2)26(30)29-24-18-10-6-8-12-20(18)35-25(24)27(31)28-19-11-7-9-13-21(19)32-3/h6-16H,4-5H2,1-3H3,(H,28,31)(H,29,30)

InChI Key

AFMWOYQZRUABCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05893164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.300

Distribution Coefficient, logD

4.297

Water Solubility, LogSw

-4.41

Polar Surface Area

74.904

Acid Dissociation Constant (pKa)

9.03

Base Dissociation Constant (pKb)

0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

C686-0165 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Selective Target Activity Profiling Library (14702 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
  • 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 C686-0165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C686-0165?
Check Price and Availability of C686-0165, 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 C686-0165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C686-0165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C686-0165
  • 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 C686-0165 available by request