D339-0305 Screening compound: 2-(2,3-dimethylphenoxy)-N-(4-methoxyphenyl)-N-[(thiophen-2-yl)methyl]acetamide

D339-0305 Screening compound: 2-(2,3-dimethylphenoxy)-N-(4-methoxyphenyl)-N-[(thiophen-2-yl)methyl]acetamide
D339-0305 Screening compound: 2-(2,3-dimethylphenoxy)-N-(4-methoxyphenyl)-N-[(thiophen-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D339-0305
2-(2,3-dimethylphenoxy)-N-(4-methoxyphenyl)-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

D339-0305

Molecular Formula

C22H23NO3S (C22 H23 NO3 S)

Compound Name

2-(2,3-dimethylphenoxy)-N-(4-methoxyphenyl)-N-[(thiophen-2-yl)methyl]acetamide

IUPAC name

2-(23-dimethylphenoxy)-N-(4-methoxyphenyl)-N-[(thiophen-2-yl)methyl]acetamide

SMILES

Cc1cccc(OCC(N(Cc2cccs2)c(cc2)ccc2OC)=O)c1C

InChI

InChI=1S/C22H23NO3S/c1-16-6-4-8-21(17(16)2)26-15-22(24)23(14-20-7-5-13-27-20)18-9-11-19(25-3)12-10-18/h4-13H,14-15H2,1-3H3

InChI Key

ULWURQYGHPVSLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08546776

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.084

Distribution Coefficient, logD

5.084

Water Solubility, LogSw

-4.88

Polar Surface Area

31.210

Acid Dissociation Constant (pKa)

23.07

Base Dissociation Constant (pKb)

-1.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

D339-0305 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 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 D339-0305 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D339-0305?
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What is the minimum amount of D339-0305 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D339-0305
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D339-0305
  • 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 D339-0305 available by request