8011-5133 Screening compound: 4-[(4-benzylpiperidin-1-yl)methyl]-3-chlorobenzonitrile

8011-5133 Screening compound: 4-[(4-benzylpiperidin-1-yl)methyl]-3-chlorobenzonitrile
8011-5133 Screening compound: 4-[(4-benzylpiperidin-1-yl)methyl]-3-chlorobenzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-5133
4-[(4-benzylpiperidin-1-yl)methyl]-3-chlorobenzonitrile

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

8011-5133

Molecular Formula

C20H21ClN2 (C20 H21 ClN2)

Compound Name

4-[(4-benzylpiperidin-1-yl)methyl]-3-chlorobenzonitrile

IUPAC name

4-[(4-benzylpiperidin-1-yl)methyl]-3-chlorobenzonitrile

SMILES

N#Cc1cc(Cl)c(CN2CCC(Cc3ccccc3)CC2)cc1

InChI

InChI=1S/C20H21ClN2/c21-20-13-18(14-22)6-7-19(20)15-23-10-8-17(9-11-23)12-16-4-2-1-3-5-16/h1-7,13,17H,8-12,15H2

InChI Key

AZZALBCBKUYWLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02648795

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

324.85

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.031

Distribution Coefficient, logD

4.717

Water Solubility, LogSw

-5.54

Polar Surface Area

20.756

Acid Dissociation Constant (pKa)

25.76

Base Dissociation Constant (pKb)

7.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

8011-5133 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Agro:
  • Agro
  • Agro
Targets:
  • GPCR
  • GPCR
  • Ion Channels
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8011-5133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-5133?
Check Price and Availability of 8011-5133, 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 8011-5133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-5133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-5133
  • 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 8011-5133 available by request