D653-0057 Screening compound: 2-(2,3-dimethylphenoxy)-1-{4-[(pyridin-4-yl)methyl]piperazin-1-yl}ethan-1-one

D653-0057 Screening compound: 2-(2,3-dimethylphenoxy)-1-{4-[(pyridin-4-yl)methyl]piperazin-1-yl}ethan-1-one
D653-0057 Screening compound: 2-(2,3-dimethylphenoxy)-1-{4-[(pyridin-4-yl)methyl]piperazin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D653-0057
2-(2,3-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

D653-0057

Molecular Formula

C20H25N3O2 (C20 H25 N3 O2)

Compound Name

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

IUPAC name

2-(23-dimethylphenoxy)-1-{4-[(pyridin-4-yl)methyl]piperazin-1-yl}ethan-1-one

SMILES

Cc1cccc(OCC(N2CCN(Cc3ccncc3)CC2)=O)c1C

InChI

InChI=1S/C20H25N3O2/c1-16-4-3-5-19(17(16)2)25-15-20(24)23-12-10-22(11-13-23)14-18-6-8-21-9-7-18/h3-9H,10-15H2,1-2H3

InChI Key

FCJXSOUJVCOCTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595246

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

339.44

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

1.721

Distribution Coefficient, logD

1.696

Water Solubility, LogSw

-1.52

Polar Surface Area

36.914

Acid Dissociation Constant (pKa)

25.23

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

D653-0057 in Drug Discovery

Included in Screening Libraries

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

Immunological Library (6760 compounds)

Protein-Protein Interaction Library (218420 compounds)

STING Agonist Library (5895 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D653-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D653-0057?
Check Price and Availability of D653-0057, 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 D653-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D653-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D653-0057
  • 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 D653-0057 available by request