D339-0561 Screening compound: 1-(3-chlorobenzoyl)-4-[2-(pyridin-4-yl)ethyl]piperazine

D339-0561 Screening compound: 1-(3-chlorobenzoyl)-4-[2-(pyridin-4-yl)ethyl]piperazine
D339-0561 Screening compound: 1-(3-chlorobenzoyl)-4-[2-(pyridin-4-yl)ethyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D339-0561
1-(3-chlorobenzoyl)-4-[2-(pyridin-4-yl)ethyl]piperazine

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

D339-0561

Molecular Formula

C18H20ClN3O (C18 H20 ClN3 O)

Compound Name

1-(3-chlorobenzoyl)-4-[2-(pyridin-4-yl)ethyl]piperazine

IUPAC name

1-(3-chlorobenzoyl)-4-[2-(pyridin-4-yl)ethyl]piperazine

SMILES

O=C(c1cccc(Cl)c1)N1CCN(CCc2ccncc2)CC1

InChI

InChI=1S/C18H20ClN3O/c19-17-3-1-2-16(14-17)18(23)22-12-10-21(11-13-22)9-6-15-4-7-20-8-5-15/h1-5,7-8,14H,6,9-13H2

InChI Key

GDCBEIIEAVWXHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12914509

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

329.83

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.897

Distribution Coefficient, logD

1.866

Water Solubility, LogSw

-2.66

Polar Surface Area

29.834

Acid Dissociation Constant (pKa)

27.29

Base Dissociation Constant (pKb)

6.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D339-0561 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)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 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
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • GPCR
  • Ion Channels
  • Proteases
  • Ion Channels

References: we are preparing a list of scientific research reports with D339-0561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D339-0561?
Check Price and Availability of D339-0561, 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 D339-0561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D339-0561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D339-0561
  • 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 D339-0561 available by request