K786-2216 Screening compound: 3-acetamido-N-[(4-methylphenyl)methyl]-4-[(4-methylphenyl)sulfanyl]benzamide

K786-2216 Screening compound: 3-acetamido-N-[(4-methylphenyl)methyl]-4-[(4-methylphenyl)sulfanyl]benzamide
K786-2216 Screening compound: 3-acetamido-N-[(4-methylphenyl)methyl]-4-[(4-methylphenyl)sulfanyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-2216
3-acetamido-N-[(4-methylphenyl)methyl]-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

K786-2216

Molecular Formula

C24H24N2O2S (C24 H24 N2 O2 S)

Compound Name

3-acetamido-N-[(4-methylphenyl)methyl]-4-[(4-methylphenyl)sulfanyl]benzamide

IUPAC name

3-acetamido-N-[(4-methylphenyl)methyl]-4-[(4-methylphenyl)sulfanyl]benzamide

SMILES

CC(Nc(cc(cc1)C(NCc2ccc(C)cc2)=O)c1Sc1ccc(C)cc1)=O

InChI

InChI=1S/C24H24N2O2S/c1-16-4-8-19(9-5-16)15-25-24(28)20-10-13-23(22(14-20)26-18(3)27)29-21-11-6-17(2)7-12-21/h4-14H,15H2,1-3H3,(H,25,28)(H,26,27)

InChI Key

YMZZXSCROZJWPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15100453

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.53

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

4.848

Distribution Coefficient, logD

4.848

Water Solubility, LogSw

-4.57

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

16.70

K786-2216 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

MCL1 Targeted Library (12200 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Serine Proteases Inhibitors Library (32732 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:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with K786-2216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-2216?
Check Price and Availability of K786-2216, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K786-2216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-2216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-2216
  • 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 K786-2216 available by request