D653-0053 Screening compound: 2-(4-chloro-3,5-dimethylphenoxy)-1-{4-[(pyridin-4-yl)methyl]piperazin-1-yl}ethan-1-one

D653-0053 Screening compound: 2-(4-chloro-3,5-dimethylphenoxy)-1-{4-[(pyridin-4-yl)methyl]piperazin-1-yl}ethan-1-one
D653-0053 Screening compound: 2-(4-chloro-3,5-dimethylphenoxy)-1-{4-[(pyridin-4-yl)methyl]piperazin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D653-0053
2-(4-chloro-3,5-dimethylphenoxy)-1-{4-[(pyridin-4-yl)methyl]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

D653-0053

Molecular Formula

C20H24ClN3O2 (C20 H24 ClN3 O2)

Compound Name

2-(4-chloro-3,5-dimethylphenoxy)-1-{4-[(pyridin-4-yl)methyl]piperazin-1-yl}ethan-1-one

IUPAC name

2-(4-chloro-35-dimethylphenoxy)-1-{4-[(pyridin-4-yl)methyl]piperazin-1-yl}ethan-1-one

SMILES

Cc1cc(OCC(N2CCN(Cc3ccncc3)CC2)=O)cc(C)c1Cl

InChI

InChI=1S/C20H24ClN3O2/c1-15-11-18(12-16(2)20(15)21)26-14-19(25)24-9-7-23(8-10-24)13-17-3-5-22-6-4-17/h3-6,11-12H,7-10,13-14H2,1-2H3

InChI Key

NOUNZFAJDFRWKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18079397

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

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.474

Distribution Coefficient, logD

2.449

Water Solubility, LogSw

-3.22

Polar Surface Area

36.827

Acid Dissociation Constant (pKa)

24.84

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

D653-0053 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • Receptor's ligands
Targets:
  • Others
  • Ion Channels

References: we are preparing a list of scientific research reports with D653-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D653-0053?
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What is the minimum amount of D653-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D653-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D653-0053
  • 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 D653-0053 available by request