K788-0529 Screening compound: N-[2-(4-chlorophenyl)ethyl]-1-cycloheptyl-1H-1,3-benzodiazole-5-carboxamide

K788-0529 Screening compound: N-[2-(4-chlorophenyl)ethyl]-1-cycloheptyl-1H-1,3-benzodiazole-5-carboxamide
K788-0529 Screening compound: N-[2-(4-chlorophenyl)ethyl]-1-cycloheptyl-1H-1,3-benzodiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-0529
N-[2-(4-chlorophenyl)ethyl]-1-cycloheptyl-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

K788-0529

Molecular Formula

C23H26ClN3O (C23 H26 ClN3 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)cc2c1n(C1CCCCCC1)cn2)NCCc(cc1)ccc1Cl

InChI

InChI=1S/C23H26ClN3O/c24-19-10-7-17(8-11-19)13-14-25-23(28)18-9-12-22-21(15-18)26-16-27(22)20-5-3-1-2-4-6-20/h7-12,15-16,20H,1-6,13-14H2,(H,25,28)

InChI Key

XUFVZVAEFFBZEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15102632

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.93

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

5.021

Distribution Coefficient, logD

5.021

Water Solubility, LogSw

-5.25

Polar Surface Area

35.301

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

2.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

K788-0529 in Drug Discovery

Included in Screening Libraries

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

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K788-0529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-0529?
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What is the minimum amount of K788-0529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-0529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-0529
  • 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 K788-0529 available by request