D653-0010 Screening compound: 1-(4-chlorobenzoyl)-4-[(pyridin-4-yl)methyl]piperazine

D653-0010 Screening compound: 1-(4-chlorobenzoyl)-4-[(pyridin-4-yl)methyl]piperazine
D653-0010 Screening compound: 1-(4-chlorobenzoyl)-4-[(pyridin-4-yl)methyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D653-0010
1-(4-chlorobenzoyl)-4-[(pyridin-4-yl)methyl]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

D653-0010

Molecular Formula

C17H18ClN3O (C17 H18 ClN3 O)

Compound Name

1-(4-chlorobenzoyl)-4-[(pyridin-4-yl)methyl]piperazine

IUPAC name

1-(4-chlorobenzoyl)-4-[(pyridin-4-yl)methyl]piperazine

SMILES

O=C(c(cc1)ccc1Cl)N1CCN(Cc2ccncc2)CC1

InChI

InChI=1S/C17H18ClN3O/c18-16-3-1-15(2-4-16)17(22)21-11-9-20(10-12-21)13-14-5-7-19-8-6-14/h1-8H,9-13H2

InChI Key

SVDBJVPWWZYZPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD17664106

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

315.8

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.656

Distribution Coefficient, logD

1.632

Water Solubility, LogSw

-2.49

Polar Surface Area

29.855

Acid Dissociation Constant (pKa)

28.54

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

D653-0010 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

GABA Library (7115 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

STING Agonist Library (5895 compounds)

Soluble Diversity Library (15920 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Eye
  • Nervous system
  • Cancer
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • GPCR
  • Ion Channels
  • Others
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D653-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D653-0010?
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What is the minimum amount of D653-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D653-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D653-0010
  • 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 D653-0010 available by request