K786-6804 Screening compound: 3-{[(3-chlorophenyl)methyl]sulfanyl}-N-[(4-methylphenyl)methyl]propanamide

K786-6804 Screening compound: 3-{[(3-chlorophenyl)methyl]sulfanyl}-N-[(4-methylphenyl)methyl]propanamide
K786-6804 Screening compound: 3-{[(3-chlorophenyl)methyl]sulfanyl}-N-[(4-methylphenyl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-6804
3-{[(3-chlorophenyl)methyl]sulfanyl}-N-[(4-methylphenyl)methyl]propanamide

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

K786-6804

Molecular Formula

C18H20ClNOS (C18 H20 ClNOS)

Compound Name

3-{[(3-chlorophenyl)methyl]sulfanyl}-N-[(4-methylphenyl)methyl]propanamide

IUPAC name

3-{[(3-chlorophenyl)methyl]sulfanyl}-N-[(4-methylphenyl)methyl]propanamide

SMILES

Cc1ccc(CNC(CCSCc2cccc(Cl)c2)=O)cc1

InChI

InChI=1S/C18H20ClNOS/c1-14-5-7-15(8-6-14)12-20-18(21)9-10-22-13-16-3-2-4-17(19)11-16/h2-8,11H,9-10,12-13H2,1H3,(H,20,21)

InChI Key

ITDUVWWMEIVGRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03833107

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.88

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.620

Distribution Coefficient, logD

4.620

Water Solubility, LogSw

-4.61

Polar Surface Area

24.438

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

K786-6804 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with K786-6804 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-6804?
Check Price and Availability of K786-6804, 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 K786-6804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-6804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-6804
  • 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 K786-6804 available by request