K786-2202 Screening compound: 3-acetamido-N-{3-[ethyl(3-methylphenyl)amino]propyl}-4-[(4-methylphenyl)sulfanyl]benzamide

K786-2202 Screening compound: 3-acetamido-N-{3-[ethyl(3-methylphenyl)amino]propyl}-4-[(4-methylphenyl)sulfanyl]benzamide
K786-2202 Screening compound: 3-acetamido-N-{3-[ethyl(3-methylphenyl)amino]propyl}-4-[(4-methylphenyl)sulfanyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-2202
3-acetamido-N-{3-[ethyl(3-methylphenyl)amino]propyl}-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

K786-2202

Molecular Formula

C28H33N3O2S (C28 H33 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCN(CCCNC(c(cc1)cc(NC(C)=O)c1Sc1ccc(C)cc1)=O)c1cc(C)ccc1

InChI

InChI=1S/C28H33N3O2S/c1-5-31(24-9-6-8-21(3)18-24)17-7-16-29-28(33)23-12-15-27(26(19-23)30-22(4)32)34-25-13-10-20(2)11-14-25/h6,8-15,18-19H,5,7,16-17H2,1-4H3,(H,29,33)(H,30,32)

InChI Key

MVSNJQPRAMVLRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15100440

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.66

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

5.573

Distribution Coefficient, logD

5.545

Water Solubility, LogSw

-5.24

Polar Surface Area

49.776

Acid Dissociation Constant (pKa)

13.71

Base Dissociation Constant (pKb)

6.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

K786-2202 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

CNS targets activity set (6557 compounds)

Eccentric PPI Library (11937 compounds)

MCL1 Targeted Library (12200 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K786-2202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-2202?
Check Price and Availability of K786-2202, 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 K786-2202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-2202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-2202
  • 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 K786-2202 available by request