D339-0404 Screening compound: 3-methyl-N-(3-methylpyridin-2-yl)-N-[(thiophen-2-yl)methyl]-1-benzofuran-2-carboxamide

D339-0404 Screening compound: 3-methyl-N-(3-methylpyridin-2-yl)-N-[(thiophen-2-yl)methyl]-1-benzofuran-2-carboxamide
D339-0404 Screening compound: 3-methyl-N-(3-methylpyridin-2-yl)-N-[(thiophen-2-yl)methyl]-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D339-0404
3-methyl-N-(3-methylpyridin-2-yl)-N-[(thiophen-2-yl)methyl]-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

D339-0404

Molecular Formula

C21H18N2O2S (C21 H18 N2 O2 S)

Compound Name

3-methyl-N-(3-methylpyridin-2-yl)-N-[(thiophen-2-yl)methyl]-1-benzofuran-2-carboxamide

IUPAC name

3-methyl-N-(3-methylpyridin-2-yl)-N-[(thiophen-2-yl)methyl]-1-benzofuran-2-carboxamide

SMILES

Cc1c(C(N(Cc2cccs2)c2ncccc2C)=O)oc2c1cccc2

InChI

InChI=1S/C21H18N2O2S/c1-14-7-5-11-22-20(14)23(13-16-8-6-12-26-16)21(24)19-15(2)17-9-3-4-10-18(17)25-19/h3-12H,13H2,1-2H3

InChI Key

GKRLHAWOJFXHMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12917644

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.353

Distribution Coefficient, logD

5.352

Water Solubility, LogSw

-5.44

Polar Surface Area

34.115

Acid Dissociation Constant (pKa)

25.94

Base Dissociation Constant (pKb)

4.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D339-0404 in Drug Discovery

Included in Screening Libraries

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D339-0404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D339-0404?
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What is the minimum amount of D339-0404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D339-0404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D339-0404
  • 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 D339-0404 available by request