K786-0165 Screening compound: 2-({[ethyl(3-methylphenyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylic acid

K786-0165 Screening compound: 2-({[ethyl(3-methylphenyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylic acid
K786-0165 Screening compound: 2-({[ethyl(3-methylphenyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-0165
2-({[ethyl(3-methylphenyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylic acid

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

K786-0165

Molecular Formula

C17H18N2O3S (C17 H18 N2 O3 S)

Compound Name

2-({[ethyl(3-methylphenyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylic acid

IUPAC name

2-({[ethyl(3-methylphenyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylic acid

SMILES

CCN(C(CSc1ncccc1C(O)=O)=O)c1cc(C)ccc1

InChI

InChI=1S/C17H18N2O3S/c1-3-19(13-7-4-6-12(2)10-13)15(20)11-23-16-14(17(21)22)8-5-9-18-16/h4-10H,3,11H2,1-2H3,(H,21,22)

InChI Key

SWQXJHWCUXFCBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15099719

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.209

Distribution Coefficient, logD

1.111

Water Solubility, LogSw

-3.21

Polar Surface Area

52.646

Acid Dissociation Constant (pKa)

5.31

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

K786-0165 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cardiovascular Library (22201 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with K786-0165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-0165?
Check Price and Availability of K786-0165, 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 K786-0165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-0165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-0165
  • 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 K786-0165 available by request