8004-2064 Screening compound: 2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]-N-phenylacetamide

8004-2064 Screening compound: 2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]-N-phenylacetamide
8004-2064 Screening compound: 2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-2064
2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]-N-phenylacetamide

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

8004-2064

Molecular Formula

C16H15N3OS (C16 H15 N3 OS)

Compound Name

2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]-N-phenylacetamide

IUPAC name

2-[(3-cyano-46-dimethylpyridin-2-yl)sulfanyl]-N-phenylacetamide

SMILES

Cc(cc(C)nc1SCC(Nc2ccccc2)=O)c1C#N

InChI

InChI=1S/C16H15N3OS/c1-11-8-12(2)18-16(14(11)9-17)21-10-15(20)19-13-6-4-3-5-7-13/h3-8H,10H2,1-2H3,(H,19,20)

InChI Key

DYDKXVPMYWYSJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00486760

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.967

Distribution Coefficient, logD

2.967

Water Solubility, LogSw

-3.22

Polar Surface Area

48.726

Acid Dissociation Constant (pKa)

12.75

Base Dissociation Constant (pKb)

0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

8004-2064 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 8004-2064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-2064?
Check Price and Availability of 8004-2064, 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 8004-2064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-2064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-2064
  • 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 8004-2064 available by request