C686-0127 Screening compound: N-(2-methoxyphenyl)-3-(2-methylpropanamido)-1-benzofuran-2-carboxamide

C686-0127 Screening compound: N-(2-methoxyphenyl)-3-(2-methylpropanamido)-1-benzofuran-2-carboxamide
C686-0127 Screening compound: N-(2-methoxyphenyl)-3-(2-methylpropanamido)-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C686-0127
N-(2-methoxyphenyl)-3-(2-methylpropanamido)-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

C686-0127

Molecular Formula

C20H20N2O4 (C20 H20 N2 O4)

Compound Name

N-(2-methoxyphenyl)-3-(2-methylpropanamido)-1-benzofuran-2-carboxamide

IUPAC name

N-(2-methoxyphenyl)-3-(2-methylpropanamido)-1-benzofuran-2-carboxamide

SMILES

CC(C)C(Nc1c(C(Nc(cccc2)c2OC)=O)oc2c1cccc2)=O

InChI

InChI=1S/C20H20N2O4/c1-12(2)19(23)22-17-13-8-4-6-10-15(13)26-18(17)20(24)21-14-9-5-7-11-16(14)25-3/h4-12H,1-3H3,(H,21,24)(H,22,23)

InChI Key

WTRBOHSRWJVLKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05893143

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.853

Distribution Coefficient, logD

3.852

Water Solubility, LogSw

-4.16

Polar Surface Area

60.755

Acid Dissociation Constant (pKa)

10.00

Base Dissociation Constant (pKb)

1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C686-0127 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C686-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C686-0127?
Check Price and Availability of C686-0127, 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 C686-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C686-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C686-0127
  • 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 C686-0127 available by request