K786-2236 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-3-acetamido-4-[(4-methylphenyl)sulfanyl]benzamide

K786-2236 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-3-acetamido-4-[(4-methylphenyl)sulfanyl]benzamide
K786-2236 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-3-acetamido-4-[(4-methylphenyl)sulfanyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-2236
N-[2-(cyclohex-1-en-1-yl)ethyl]-3-acetamido-4-[(4-methylphenyl)sulfanyl]benzamide

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

K786-2236

Molecular Formula

C24H28N2O2S (C24 H28 N2 O2 S)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-3-acetamido-4-[(4-methylphenyl)sulfanyl]benzamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-3-acetamido-4-[(4-methylphenyl)sulfanyl]benzamide

SMILES

CC(Nc(cc(cc1)C(NCCC2=CCCCC2)=O)c1Sc1ccc(C)cc1)=O

InChI

InChI=1S/C24H28N2O2S/c1-17-8-11-21(12-9-17)29-23-13-10-20(16-22(23)26-18(2)27)24(28)25-15-14-19-6-4-3-5-7-19/h6,8-13,16H,3-5,7,14-15H2,1-2H3,(H,25,28)(H,26,27)

InChI Key

KQXZQJNSTUZXEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15100473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.56

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

4.728

Distribution Coefficient, logD

4.728

Water Solubility, LogSw

-4.39

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

33.30

K786-2236 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 K786-2236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-2236?
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What is the minimum amount of K786-2236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-2236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-2236
  • 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 K786-2236 available by request