8003-0679 Screening compound: 4,6-dimethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-pyridyl cyanide

8003-0679 Screening compound: 4,6-dimethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-pyridyl cyanide
8003-0679 Screening compound: 4,6-dimethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-pyridyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-0679
4,6-dimethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-pyridyl cyanide

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

8003-0679

Molecular Formula

C16H14N2OS (C16 H14 N2 OS)

Compound Name

4,6-dimethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-pyridyl cyanide

IUPAC name

46-dimethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]pyridine-3-carbonitrile

SMILES

Cc(cc(C)nc1SCC(c2ccccc2)=O)c1C#N

InChI

InChI=1S/C16H14N2OS/c1-11-8-12(2)18-16(14(11)9-17)20-10-15(19)13-6-4-3-5-7-13/h3-8H,10H2,1-2H3

InChI Key

IBTOKBFICVBTAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00427376

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.181

Distribution Coefficient, logD

3.181

Water Solubility, LogSw

-3.25

Polar Surface Area

38.824

Acid Dissociation Constant (pKa)

18.59

Base Dissociation Constant (pKb)

1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.75

8003-0679 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8003-0679 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-0679?
Check Price and Availability of 8003-0679, 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 8003-0679 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-0679
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-0679
  • 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 8003-0679 available by request