K786-1962 Screening compound: 4-[(4-chlorophenyl)sulfanyl]-N-[2-(cyclohex-1-en-1-yl)ethyl]-3-acetamidobenzamide

K786-1962 Screening compound: 4-[(4-chlorophenyl)sulfanyl]-N-[2-(cyclohex-1-en-1-yl)ethyl]-3-acetamidobenzamide
K786-1962 Screening compound: 4-[(4-chlorophenyl)sulfanyl]-N-[2-(cyclohex-1-en-1-yl)ethyl]-3-acetamidobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-1962
4-[(4-chlorophenyl)sulfanyl]-N-[2-(cyclohex-1-en-1-yl)ethyl]-3-acetamidobenzamide

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

K786-1962

Molecular Formula

C23H25ClN2O2S (C23 H25 ClN2 O2 S)

Compound Name

4-[(4-chlorophenyl)sulfanyl]-N-[2-(cyclohex-1-en-1-yl)ethyl]-3-acetamidobenzamide

IUPAC name

4-[(4-chlorophenyl)sulfanyl]-N-[2-(cyclohex-1-en-1-yl)ethyl]-3-acetamidobenzamide

SMILES

CC(Nc(cc(cc1)C(NCCC2=CCCCC2)=O)c1Sc(cc1)ccc1Cl)=O

InChI

InChI=1S/C23H25ClN2O2S/c1-16(27)26-21-15-18(23(28)25-14-13-17-5-3-2-4-6-17)7-12-22(21)29-20-10-8-19(24)9-11-20/h5,7-12,15H,2-4,6,13-14H2,1H3,(H,25,28)(H,26,27)

InChI Key

ZCQCTQMHDIMQGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15100308

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.98

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.900

Distribution Coefficient, logD

4.900

Water Solubility, LogSw

-4.87

Polar Surface Area

46.978

Acid Dissociation Constant (pKa)

13.81

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

K786-1962 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with K786-1962 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of K786-1962 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-1962
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-1962
  • 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 K786-1962 available by request