D345-0079 Screening compound: 2-(4-ethylphenoxy)-1-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}ethan-1-one

D345-0079 Screening compound: 2-(4-ethylphenoxy)-1-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}ethan-1-one
D345-0079 Screening compound: 2-(4-ethylphenoxy)-1-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D345-0079
2-(4-ethylphenoxy)-1-{4-[2-(pyridin-2-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

D345-0079

Molecular Formula

C21H27N3O2 (C21 H27 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1OCC(N1CCN(CCc2ncccc2)CC1)=O

InChI

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

InChI Key

UDIKDKCEVWWHEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07454531

Chemical and Physical Properties

Saltdata

n/a

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

2.372

Distribution Coefficient, logD

2.336

Water Solubility, LogSw

-2.21

Polar Surface Area

36.920

Acid Dissociation Constant (pKa)

25.23

Base Dissociation Constant (pKb)

6.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

D345-0079 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Ion Channels Focused Library (26372 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:
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D345-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D345-0079?
Check Price and Availability of D345-0079, 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 D345-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D345-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D345-0079
  • 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 D345-0079 available by request