D339-0117 Screening compound: N-(2-chlorophenyl)-2-oxo-N-[(thiophen-2-yl)methyl]-2H-chromene-3-carboxamide

D339-0117 Screening compound: N-(2-chlorophenyl)-2-oxo-N-[(thiophen-2-yl)methyl]-2H-chromene-3-carboxamide
D339-0117 Screening compound: N-(2-chlorophenyl)-2-oxo-N-[(thiophen-2-yl)methyl]-2H-chromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D339-0117
N-(2-chlorophenyl)-2-oxo-N-[(thiophen-2-yl)methyl]-2H-chromene-3-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

D339-0117

Molecular Formula

C21H14ClNO3S (C21 H14 ClNO3 S)

Compound Name

N-(2-chlorophenyl)-2-oxo-N-[(thiophen-2-yl)methyl]-2H-chromene-3-carboxamide

IUPAC name

N-(2-chlorophenyl)-2-oxo-N-[(thiophen-2-yl)methyl]-2H-chromene-3-carboxamide

SMILES

O=C(C1=Cc(cccc2)c2OC1=O)N(Cc1cccs1)c(cccc1)c1Cl

InChI

InChI=1S/C21H14ClNO3S/c22-17-8-2-3-9-18(17)23(13-15-7-5-11-27-15)20(24)16-12-14-6-1-4-10-19(14)26-21(16)25/h1-12H,13H2

InChI Key

RXQHEJCKSGQMNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12920075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.578

Distribution Coefficient, logD

4.578

Water Solubility, LogSw

-4.69

Polar Surface Area

37.229

Acid Dissociation Constant (pKa)

31.37

Base Dissociation Constant (pKb)

-4.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

D339-0117 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D339-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D339-0117?
Check Price and Availability of D339-0117, 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 D339-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D339-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D339-0117
  • 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 D339-0117 available by request