K786-8839 Screening compound: N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-1-cyclohexyl-1H-1,3-benzodiazole-5-carboxamide

K786-8839 Screening compound: N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-1-cyclohexyl-1H-1,3-benzodiazole-5-carboxamide
K786-8839 Screening compound: N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-1-cyclohexyl-1H-1,3-benzodiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-8839
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-1-cyclohexyl-1H-1,3-benzodiazole-5-carboxamide

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

K786-8839

Molecular Formula

C26H32ClN5O (C26 H32 ClN5 O)

Compound Name

N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-1-cyclohexyl-1H-1,3-benzodiazole-5-carboxamide

IUPAC name

N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-1-cyclohexyl-1H-13-benzodiazole-5-carboxamide

SMILES

O=C(c(cc1)cc2c1n(C1CCCCC1)cn2)NCCN(CC1)CCN1c1cccc(Cl)c1

InChI

InChI=1S/C26H32ClN5O/c27-21-5-4-8-23(18-21)31-15-13-30(14-16-31)12-11-28-26(33)20-9-10-25-24(17-20)29-19-32(25)22-6-2-1-3-7-22/h4-5,8-10,17-19,22H,1-3,6-7,11-16H2,(H,28,33)

InChI Key

HDAGRUAIXXBUSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15102025

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.03

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.384

Distribution Coefficient, logD

4.360

Water Solubility, LogSw

-4.44

Polar Surface Area

42.213

Acid Dissociation Constant (pKa)

12.54

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

K786-8839 in Drug Discovery

Included in Screening Libraries

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

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

GABA Library (7115 compounds)

GPCR Targeted Library (31838 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Eye
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Immune system
Targets:
  • GPCR
  • Ion Channels
  • GPCR
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K786-8839 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-8839?
Check Price and Availability of K786-8839, 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 K786-8839 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-8839
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-8839
  • 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 K786-8839 available by request