K786-1955 Screening compound: 4-[(4-chlorophenyl)sulfanyl]-3-acetamido-N-{3-[ethyl(phenyl)amino]propyl}benzamide

K786-1955 Screening compound: 4-[(4-chlorophenyl)sulfanyl]-3-acetamido-N-{3-[ethyl(phenyl)amino]propyl}benzamide
K786-1955 Screening compound: 4-[(4-chlorophenyl)sulfanyl]-3-acetamido-N-{3-[ethyl(phenyl)amino]propyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-1955
4-[(4-chlorophenyl)sulfanyl]-3-acetamido-N-{3-[ethyl(phenyl)amino]propyl}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

K786-1955

Molecular Formula

C26H28ClN3O2S (C26 H28 ClN3 O2 S)

Compound Name

4-[(4-chlorophenyl)sulfanyl]-3-acetamido-N-{3-[ethyl(phenyl)amino]propyl}benzamide

IUPAC name

4-[(4-chlorophenyl)sulfanyl]-3-acetamido-N-{3-[ethyl(phenyl)amino]propyl}benzamide

SMILES

CCN(CCCNC(c(cc1)cc(NC(C)=O)c1Sc(cc1)ccc1Cl)=O)c1ccccc1

InChI

InChI=1S/C26H28ClN3O2S/c1-3-30(22-8-5-4-6-9-22)17-7-16-28-26(32)20-10-15-25(24(18-20)29-19(2)31)33-23-13-11-21(27)12-14-23/h4-6,8-15,18H,3,7,16-17H2,1-2H3,(H,28,32)(H,29,31)

InChI Key

MIJLENOLDKVGIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15100302

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.05

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.302

Distribution Coefficient, logD

5.276

Water Solubility, LogSw

-5.79

Polar Surface Area

49.776

Acid Dissociation Constant (pKa)

13.71

Base Dissociation Constant (pKb)

8.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

K786-1955 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K786-1955 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-1955?
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What is the minimum amount of K786-1955 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-1955
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-1955
  • 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 K786-1955 available by request