D339-0068 Screening compound: N-(3-chlorophenyl)-2-oxo-N-[(thiophen-2-yl)methyl]-2H-chromene-3-carboxamide

D339-0068 Screening compound: N-(3-chlorophenyl)-2-oxo-N-[(thiophen-2-yl)methyl]-2H-chromene-3-carboxamide
D339-0068 Screening compound: N-(3-chlorophenyl)-2-oxo-N-[(thiophen-2-yl)methyl]-2H-chromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D339-0068
N-(3-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

D339-0068

Molecular Formula

C21H14ClNO3S (C21 H14 ClNO3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(C1=Cc(cccc2)c2OC1=O)N(Cc1cccs1)c1cccc(Cl)c1

InChI

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

InChI Key

DRVGTGXHNCCCHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12916643

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

4.786

Distribution Coefficient, logD

4.786

Water Solubility, LogSw

-5.00

Polar Surface Area

37.530

Acid Dissociation Constant (pKa)

31.14

Base Dissociation Constant (pKb)

-4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

D339-0068 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with D339-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D339-0068?
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What is the minimum amount of D339-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D339-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D339-0068
  • 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 D339-0068 available by request