K786-4596 Screening compound: N-[2-(4-chlorophenyl)ethyl]-1-cyclopentyl-1H-1,3-benzodiazole-5-carboxamide

K786-4596 Screening compound: N-[2-(4-chlorophenyl)ethyl]-1-cyclopentyl-1H-1,3-benzodiazole-5-carboxamide
K786-4596 Screening compound: N-[2-(4-chlorophenyl)ethyl]-1-cyclopentyl-1H-1,3-benzodiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-4596
N-[2-(4-chlorophenyl)ethyl]-1-cyclopentyl-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

K786-4596

Molecular Formula

C21H22ClN3O (C21 H22 ClN3 O)

Compound Name

N-[2-(4-chlorophenyl)ethyl]-1-cyclopentyl-1H-1,3-benzodiazole-5-carboxamide

IUPAC name

N-[2-(4-chlorophenyl)ethyl]-1-cyclopentyl-1H-13-benzodiazole-5-carboxamide

SMILES

O=C(c(cc1)cc2c1n(C1CCCC1)cn2)NCCc(cc1)ccc1Cl

InChI

InChI=1S/C21H22ClN3O/c22-17-8-5-15(6-9-17)11-12-23-21(26)16-7-10-20-19(13-16)24-14-25(20)18-3-1-2-4-18/h5-10,13-14,18H,1-4,11-12H2,(H,23,26)

InChI Key

QWQKQNKKEYWGAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15101097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.88

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.979

Distribution Coefficient, logD

3.979

Water Solubility, LogSw

-4.54

Polar Surface Area

35.336

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

2.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

K786-4596 in Drug Discovery

Included in Screening Libraries

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

Epigenetics Focused Set (26518 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K786-4596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-4596?
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What is the minimum amount of K786-4596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-4596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-4596
  • 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 K786-4596 available by request