D339-0564 Screening compound: 2-(4-ethylphenoxy)-1-{4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}ethan-1-one

D339-0564 Screening compound: 2-(4-ethylphenoxy)-1-{4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}ethan-1-one
D339-0564 Screening compound: 2-(4-ethylphenoxy)-1-{4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D339-0564
2-(4-ethylphenoxy)-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

D339-0564

Molecular Formula

C21H27N3O2 (C21 H27 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1OCC(N1CCN(CCc2ccncc2)CC1)=O

InChI

InChI=1S/C21H27N3O2/c1-2-18-3-5-20(6-4-18)26-17-21(25)24-15-13-23(14-16-24)12-9-19-7-10-22-11-8-19/h3-8,10-11H,2,9,12-17H2,1H3

InChI Key

XEZDEMFPBLHWFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12914511

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

353.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.030

Distribution Coefficient, logD

1.977

Water Solubility, LogSw

-1.75

Polar Surface Area

36.806

Acid Dissociation Constant (pKa)

25.23

Base Dissociation Constant (pKb)

6.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

D339-0564 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Soluble Diversity Library (15920 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
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with D339-0564 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D339-0564?
Check Price and Availability of D339-0564, 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 D339-0564 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D339-0564
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D339-0564
  • 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 D339-0564 available by request