K788-9842 Screening compound: N-(4-methylphenyl)-3-{[2-(pyridin-2-yl)ethyl]sulfanyl}propanamide

K788-9842 Screening compound: N-(4-methylphenyl)-3-{[2-(pyridin-2-yl)ethyl]sulfanyl}propanamide
K788-9842 Screening compound: N-(4-methylphenyl)-3-{[2-(pyridin-2-yl)ethyl]sulfanyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-9842
N-(4-methylphenyl)-3-{[2-(pyridin-2-yl)ethyl]sulfanyl}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

K788-9842

Molecular Formula

C17H20N2OS (C17 H20 N2 OS)

Compound Name

N-(4-methylphenyl)-3-{[2-(pyridin-2-yl)ethyl]sulfanyl}propanamide

IUPAC name

N-(4-methylphenyl)-3-{[2-(pyridin-2-yl)ethyl]sulfanyl}propanamide

SMILES

Cc(cc1)ccc1NC(CCSCCc1ncccc1)=O

InChI

InChI=1S/C17H20N2OS/c1-14-5-7-16(8-6-14)19-17(20)10-13-21-12-9-15-4-2-3-11-18-15/h2-8,11H,9-10,12-13H2,1H3,(H,19,20)

InChI Key

BWOIGYYNJOKSRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15108826

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.233

Distribution Coefficient, logD

3.233

Water Solubility, LogSw

-3.44

Polar Surface Area

32.659

Acid Dissociation Constant (pKa)

12.60

Base Dissociation Constant (pKb)

4.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

K788-9842 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
Structure:
  • Pool

References: we are preparing a list of scientific research reports with K788-9842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-9842?
Check Price and Availability of K788-9842, 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 K788-9842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-9842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-9842
  • 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 K788-9842 available by request