D339-0336 Screening compound: 3-chloro-4-methoxy-N-(4-methoxyphenyl)-N-[(thiophen-2-yl)methyl]benzamide

D339-0336 Screening compound: 3-chloro-4-methoxy-N-(4-methoxyphenyl)-N-[(thiophen-2-yl)methyl]benzamide
D339-0336 Screening compound: 3-chloro-4-methoxy-N-(4-methoxyphenyl)-N-[(thiophen-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D339-0336
3-chloro-4-methoxy-N-(4-methoxyphenyl)-N-[(thiophen-2-yl)methyl]benzamide

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

D339-0336

Molecular Formula

C20H18ClNO3S (C20 H18 ClNO3 S)

Compound Name

3-chloro-4-methoxy-N-(4-methoxyphenyl)-N-[(thiophen-2-yl)methyl]benzamide

IUPAC name

3-chloro-4-methoxy-N-(4-methoxyphenyl)-N-[(thiophen-2-yl)methyl]benzamide

SMILES

COc(cc1)ccc1N(Cc1cccs1)C(c(cc1)cc(Cl)c1OC)=O

InChI

InChI=1S/C20H18ClNO3S/c1-24-16-8-6-15(7-9-16)22(13-17-4-3-11-26-17)20(23)14-5-10-19(25-2)18(21)12-14/h3-12H,13H2,1-2H3

InChI Key

ZIJLIQVPLMPGGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12914596

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.89

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.581

Distribution Coefficient, logD

4.581

Water Solubility, LogSw

-4.82

Polar Surface Area

31.782

Acid Dissociation Constant (pKa)

30.79

Base Dissociation Constant (pKb)

-4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

D339-0336 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 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 D339-0336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D339-0336?
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What is the minimum amount of D339-0336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D339-0336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D339-0336
  • 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 D339-0336 available by request