D653-0052 Screening compound: 2-(4-chloro-3-methylphenoxy)-1-{4-[(pyridin-4-yl)methyl]piperazin-1-yl}ethan-1-one

D653-0052 Screening compound: 2-(4-chloro-3-methylphenoxy)-1-{4-[(pyridin-4-yl)methyl]piperazin-1-yl}ethan-1-one
D653-0052 Screening compound: 2-(4-chloro-3-methylphenoxy)-1-{4-[(pyridin-4-yl)methyl]piperazin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D653-0052
2-(4-chloro-3-methylphenoxy)-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

D653-0052

Molecular Formula

C19H22ClN3O2 (C19 H22 ClN3 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc(cc1)OCC(N2CCN(Cc3ccncc3)CC2)=O)c1Cl

InChI

InChI=1S/C19H22ClN3O2/c1-15-12-17(2-3-18(15)20)25-14-19(24)23-10-8-22(9-11-23)13-16-4-6-21-7-5-16/h2-7,12H,8-11,13-14H2,1H3

InChI Key

MRBSHUDQUJSKQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18079398

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

359.86

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

2.122

Distribution Coefficient, logD

2.098

Water Solubility, LogSw

-2.89

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

36.80

D653-0052 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Protein-Protein Interaction Library (218420 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 D653-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D653-0052?
Check Price and Availability of D653-0052, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D653-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D653-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D653-0052
  • 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 D653-0052 available by request