D339-0014 Screening compound: N-(4-chlorophenyl)-2-(4-ethylphenoxy)-N-[(thiophen-2-yl)methyl]acetamide

D339-0014 Screening compound: N-(4-chlorophenyl)-2-(4-ethylphenoxy)-N-[(thiophen-2-yl)methyl]acetamide
D339-0014 Screening compound: N-(4-chlorophenyl)-2-(4-ethylphenoxy)-N-[(thiophen-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D339-0014
N-(4-chlorophenyl)-2-(4-ethylphenoxy)-N-[(thiophen-2-yl)methyl]acetamide

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

D339-0014

Molecular Formula

C21H20ClNO2S (C21 H20 ClNO2 S)

Compound Name

N-(4-chlorophenyl)-2-(4-ethylphenoxy)-N-[(thiophen-2-yl)methyl]acetamide

IUPAC name

N-(4-chlorophenyl)-2-(4-ethylphenoxy)-N-[(thiophen-2-yl)methyl]acetamide

SMILES

CCc(cc1)ccc1OCC(N(Cc1cccs1)c(cc1)ccc1Cl)=O

InChI

InChI=1S/C21H20ClNO2S/c1-2-16-5-11-19(12-6-16)25-15-21(24)23(14-20-4-3-13-26-20)18-9-7-17(22)8-10-18/h3-13H,2,14-15H2,1H3

InChI Key

URSQILYDCAAXRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08545963

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.91

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.749

Distribution Coefficient, logD

5.749

Water Solubility, LogSw

-5.86

Polar Surface Area

23.580

Acid Dissociation Constant (pKa)

23.07

Base Dissociation Constant (pKb)

-2.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

D339-0014 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D339-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D339-0014?
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What is the minimum amount of D339-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D339-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D339-0014
  • 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 D339-0014 available by request