D345-0089 Screening compound: 2-(4-methoxyphenyl)-1-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}ethan-1-one

D345-0089 Screening compound: 2-(4-methoxyphenyl)-1-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}ethan-1-one
D345-0089 Screening compound: 2-(4-methoxyphenyl)-1-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D345-0089
2-(4-methoxyphenyl)-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

D345-0089

Molecular Formula

C20H25N3O2 (C20 H25 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(CC(N2CCN(CCc3ncccc3)CC2)=O)cc1

InChI

InChI=1S/C20H25N3O2/c1-25-19-7-5-17(6-8-19)16-20(24)23-14-12-22(13-15-23)11-9-18-4-2-3-10-21-18/h2-8,10H,9,11-16H2,1H3

InChI Key

LLNFXSTVARKQSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07454544

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

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.922

Distribution Coefficient, logD

1.883

Water Solubility, LogSw

-1.88

Polar Surface Area

36.965

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

6.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

D345-0089 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D345-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D345-0089?
Check Price and Availability of D345-0089, 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 D345-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D345-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D345-0089
  • 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 D345-0089 available by request