K786-2150 Screening compound: 3-(acetylamino)-N-benzyl-4-[(4-chlorophenyl)sulfanyl]-N-methylbenzamide

K786-2150 Screening compound: 3-(acetylamino)-N-benzyl-4-[(4-chlorophenyl)sulfanyl]-N-methylbenzamide
K786-2150 Screening compound: 3-(acetylamino)-N-benzyl-4-[(4-chlorophenyl)sulfanyl]-N-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-2150
3-(acetylamino)-N-benzyl-4-[(4-chlorophenyl)sulfanyl]-N-methylbenzamide

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

K786-2150

Molecular Formula

C23H21ClN2O2S (C23 H21 ClN2 O2 S)

Compound Name

3-(acetylamino)-N-benzyl-4-[(4-chlorophenyl)sulfanyl]-N-methylbenzamide

IUPAC name

N-benzyl-4-[(4-chlorophenyl)sulfanyl]-3-acetamido-N-methylbenzamide

SMILES

CC(Nc(cc(cc1)C(N(C)Cc2ccccc2)=O)c1Sc(cc1)ccc1Cl)=O

InChI

InChI=1S/C23H21ClN2O2S/c1-16(27)25-21-14-18(23(28)26(2)15-17-6-4-3-5-7-17)8-13-22(21)29-20-11-9-19(24)10-12-20/h3-14H,15H2,1-2H3,(H,25,27)

InChI Key

YLEHZPAMGODNBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15100403

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.95

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.735

Distribution Coefficient, logD

4.735

Water Solubility, LogSw

-4.91

Polar Surface Area

38.681

Acid Dissociation Constant (pKa)

14.59

Base Dissociation Constant (pKb)

-3.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.04

K786-2150 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K786-2150 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-2150?
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What is the minimum amount of K786-2150 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-2150
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-2150
  • 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 K786-2150 available by request