K786-9529 Screening compound: 5-(4-benzylpiperazine-1-carbonyl)-1-cyclohexyl-1H-1,3-benzodiazole

K786-9529 Screening compound: 5-(4-benzylpiperazine-1-carbonyl)-1-cyclohexyl-1H-1,3-benzodiazole
K786-9529 Screening compound: 5-(4-benzylpiperazine-1-carbonyl)-1-cyclohexyl-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-9529
5-(4-benzylpiperazine-1-carbonyl)-1-cyclohexyl-1H-1,3-benzodiazole

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

K786-9529

Molecular Formula

C25H30N4O (C25 H30 N4 O)

Compound Name

5-(4-benzylpiperazine-1-carbonyl)-1-cyclohexyl-1H-1,3-benzodiazole

IUPAC name

5-(4-benzylpiperazine-1-carbonyl)-1-cyclohexyl-1H-13-benzodiazole

SMILES

O=C(c(cc1)cc2c1n(C1CCCCC1)cn2)N1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C25H30N4O/c30-25(28-15-13-27(14-16-28)18-20-7-3-1-4-8-20)21-11-12-24-23(17-21)26-19-29(24)22-9-5-2-6-10-22/h1,3-4,7-8,11-12,17,19,22H,2,5-6,9-10,13-16,18H2

InChI Key

NGHXFSGHKSXEKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15102319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.645

Distribution Coefficient, logD

3.629

Water Solubility, LogSw

-3.90

Polar Surface Area

30.904

Acid Dissociation Constant (pKa)

22.56

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

K786-9529 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

CNS BBB Library (22607 compounds)

GPCR Targeted Library (31838 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K786-9529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-9529?
Check Price and Availability of K786-9529, 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 K786-9529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-9529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-9529
  • 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 K786-9529 available by request