6408-0452 Screening compound: N-[4-(4-benzylpiperazino)phenyl]-N-(4-chlorobenzyl)amine

6408-0452 Screening compound: N-[4-(4-benzylpiperazino)phenyl]-N-(4-chlorobenzyl)amine
6408-0452 Screening compound: N-[4-(4-benzylpiperazino)phenyl]-N-(4-chlorobenzyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6408-0452
N-[4-(4-benzylpiperazino)phenyl]-N-(4-chlorobenzyl)amine

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

6408-0452

Molecular Formula

C24H26ClN3 (C24 H26 ClN3)

Compound Name

N-[4-(4-benzylpiperazino)phenyl]-N-(4-chlorobenzyl)amine

IUPAC name

4-(4-benzylpiperazin-1-yl)-N-[(4-chlorophenyl)methyl]aniline

SMILES

Clc1ccc(CNc(cc2)ccc2N2CCN(Cc3ccccc3)CC2)cc1

InChI

InChI=1S/C24H26ClN3/c25-22-8-6-20(7-9-22)18-26-23-10-12-24(13-11-23)28-16-14-27(15-17-28)19-21-4-2-1-3-5-21/h1-13,26H,14-19H2

InChI Key

LLAONCZFIOOLBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04090206

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

391.94

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.088

Distribution Coefficient, logD

4.982

Water Solubility, LogSw

-5.47

Polar Surface Area

17.466

Acid Dissociation Constant (pKa)

19.36

Base Dissociation Constant (pKb)

6.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

6408-0452 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS targets activity set (6557 compounds)

Glucocorticoid receptors Library (4806 compounds)

Human GPCR Annotated Library (5539 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Nervous system
Targets:
  • Nuclear receptors
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6408-0452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6408-0452?
Check Price and Availability of 6408-0452, 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 6408-0452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6408-0452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6408-0452
  • 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 6408-0452 available by request