K786-1963 Screening compound: 4-[(4-chlorophenyl)sulfanyl]-N-[(2,4-dimethoxyphenyl)methyl]-3-acetamidobenzamide

K786-1963 Screening compound: 4-[(4-chlorophenyl)sulfanyl]-N-[(2,4-dimethoxyphenyl)methyl]-3-acetamidobenzamide
K786-1963 Screening compound: 4-[(4-chlorophenyl)sulfanyl]-N-[(2,4-dimethoxyphenyl)methyl]-3-acetamidobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-1963
4-[(4-chlorophenyl)sulfanyl]-N-[(2,4-dimethoxyphenyl)methyl]-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

K786-1963

Molecular Formula

C24H23ClN2O4S (C24 H23 ClN2 O4 S)

Compound Name

4-[(4-chlorophenyl)sulfanyl]-N-[(2,4-dimethoxyphenyl)methyl]-3-acetamidobenzamide

IUPAC name

4-[(4-chlorophenyl)sulfanyl]-N-[(24-dimethoxyphenyl)methyl]-3-acetamidobenzamide

SMILES

CC(Nc(cc(cc1)C(NCc(ccc(OC)c2)c2OC)=O)c1Sc(cc1)ccc1Cl)=O

InChI

InChI=1S/C24H23ClN2O4S/c1-15(28)27-21-12-16(5-11-23(21)32-20-9-6-18(25)7-10-20)24(29)26-14-17-4-8-19(30-2)13-22(17)31-3/h4-13H,14H2,1-3H3,(H,26,29)(H,27,28)

InChI Key

KWNXWLHGRPMRDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15100309

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.98

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.815

Distribution Coefficient, logD

4.815

Water Solubility, LogSw

-4.93

Polar Surface Area

62.118

Acid Dissociation Constant (pKa)

12.77

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

K786-1963 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 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

References: we are preparing a list of scientific research reports with K786-1963 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-1963?
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What is the minimum amount of K786-1963 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-1963
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-1963
  • 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 K786-1963 available by request