D339-0546 Screening compound: 2-(4-chloro-3-methylphenoxy)-1-{4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}ethan-1-one

D339-0546 Screening compound: 2-(4-chloro-3-methylphenoxy)-1-{4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}ethan-1-one
D339-0546 Screening compound: 2-(4-chloro-3-methylphenoxy)-1-{4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D339-0546
2-(4-chloro-3-methylphenoxy)-1-{4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}ethan-1-one

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

D339-0546

Molecular Formula

C20H24ClN3O2 (C20 H24 ClN3 O2)

Compound Name

2-(4-chloro-3-methylphenoxy)-1-{4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}ethan-1-one

IUPAC name

2-(4-chloro-3-methylphenoxy)-1-{4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}ethan-1-one

SMILES

Cc(cc(cc1)OCC(N2CCN(CCc3ccncc3)CC2)=O)c1Cl

InChI

InChI=1S/C20H24ClN3O2/c1-16-14-18(2-3-19(16)21)26-15-20(25)24-12-10-23(11-13-24)9-6-17-4-7-22-8-5-17/h2-5,7-8,14H,6,9-13,15H2,1H3

InChI Key

OSVXHISNIFYZNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12915875

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

373.88

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.379

Distribution Coefficient, logD

2.325

Water Solubility, LogSw

-2.93

Polar Surface Area

36.806

Acid Dissociation Constant (pKa)

24.84

Base Dissociation Constant (pKb)

6.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

D339-0546 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D339-0546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D339-0546?
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What is the minimum amount of D339-0546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D339-0546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D339-0546
  • 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 D339-0546 available by request