K786-1935 Screening compound: N-[(2-chlorophenyl)methyl]-3-acetamido-4-[(4-fluorophenyl)sulfanyl]benzamide

K786-1935 Screening compound: N-[(2-chlorophenyl)methyl]-3-acetamido-4-[(4-fluorophenyl)sulfanyl]benzamide
K786-1935 Screening compound: N-[(2-chlorophenyl)methyl]-3-acetamido-4-[(4-fluorophenyl)sulfanyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-1935
N-[(2-chlorophenyl)methyl]-3-acetamido-4-[(4-fluorophenyl)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

K786-1935

Molecular Formula

C22H18ClFN2O2S (C22 H18 ClFN2 O2 S)

Compound Name

N-[(2-chlorophenyl)methyl]-3-acetamido-4-[(4-fluorophenyl)sulfanyl]benzamide

IUPAC name

N-[(2-chlorophenyl)methyl]-3-acetamido-4-[(4-fluorophenyl)sulfanyl]benzamide

SMILES

CC(Nc(cc(cc1)C(NCc(cccc2)c2Cl)=O)c1Sc(cc1)ccc1F)=O

InChI

InChI=1S/C22H18ClFN2O2S/c1-14(27)26-20-12-15(22(28)25-13-16-4-2-3-5-19(16)23)6-11-21(20)29-18-9-7-17(24)8-10-18/h2-12H,13H2,1H3,(H,25,28)(H,26,27)

InChI Key

ARTZBTAJGMXQLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15100291

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.91

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.812

Distribution Coefficient, logD

4.812

Water Solubility, LogSw

-4.89

Polar Surface Area

46.944

Acid Dissociation Constant (pKa)

11.77

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

K786-1935 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with K786-1935 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-1935?
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What is the minimum amount of K786-1935 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-1935
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-1935
  • 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 K786-1935 available by request