D345-0054 Screening compound: 2-(4-chloro-3-methylphenoxy)-1-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}propan-1-one

D345-0054 Screening compound: 2-(4-chloro-3-methylphenoxy)-1-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}propan-1-one
D345-0054 Screening compound: 2-(4-chloro-3-methylphenoxy)-1-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D345-0054
2-(4-chloro-3-methylphenoxy)-1-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}propan-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

D345-0054

Molecular Formula

C21H26ClN3O2 (C21 H26 ClN3 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C(N1CCN(CCc2ncccc2)CC1)=O)Oc(cc1)cc(C)c1Cl

InChI

InChI=1S/C21H26ClN3O2/c1-16-15-19(6-7-20(16)22)27-17(2)21(26)25-13-11-24(12-14-25)10-8-18-5-3-4-9-23-18/h3-7,9,15,17H,8,10-14H2,1-2H3/t17-/m0/s1

InChI Key

NRYLIIVJHLAKST-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD07454506

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

387.91

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

3.314

Distribution Coefficient, logD

3.258

Water Solubility, LogSw

-3.37

Polar Surface Area

36.738

Acid Dissociation Constant (pKa)

22.48

Base Dissociation Constant (pKb)

6.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

D345-0054 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 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)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Nervous system
  • Immune system
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D345-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D345-0054?
Check Price and Availability of D345-0054, 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 D345-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D345-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D345-0054
  • 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 D345-0054 available by request