D339-0118 Screening compound: N-(2-chlorophenyl)-3-methyl-N-[(thiophen-2-yl)methyl]-1-benzofuran-2-carboxamide

D339-0118 Screening compound: N-(2-chlorophenyl)-3-methyl-N-[(thiophen-2-yl)methyl]-1-benzofuran-2-carboxamide
D339-0118 Screening compound: N-(2-chlorophenyl)-3-methyl-N-[(thiophen-2-yl)methyl]-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D339-0118
N-(2-chlorophenyl)-3-methyl-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

D339-0118

Molecular Formula

C21H16ClNO2S (C21 H16 ClNO2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(N(Cc2cccs2)c(cccc2)c2Cl)=O)oc2c1cccc2

InChI

InChI=1S/C21H16ClNO2S/c1-14-16-8-2-5-11-19(16)25-20(14)21(24)23(13-15-7-6-12-26-15)18-10-4-3-9-17(18)22/h2-12H,13H2,1H3

InChI Key

NAUAEDBTAGCVMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12920020

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.88

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.009

Distribution Coefficient, logD

6.009

Water Solubility, LogSw

-5.98

Polar Surface Area

24.833

Acid Dissociation Constant (pKa)

27.55

Base Dissociation Constant (pKb)

-3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

D339-0118 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D339-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D339-0118?
Check Price and Availability of D339-0118, 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 D339-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D339-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D339-0118
  • 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 D339-0118 available by request