8003-0397 Screening compound: ethyl 2-[(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl]acetate

8003-0397 Screening compound: ethyl 2-[(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl]acetate
8003-0397 Screening compound: ethyl 2-[(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-0397
ethyl 2-[(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl]acetate

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

8003-0397

Molecular Formula

C13H14N2O3S (C13 H14 N2 O3 S)

Compound Name

ethyl 2-[(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl]acetate

IUPAC name

ethyl 2-[(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl]acetate

SMILES

CCOC(CSc(c(C#N)c1)nc(C)c1C(C)=O)=O

InChI

InChI=1S/C13H14N2O3S/c1-4-18-12(17)7-19-13-10(6-14)5-11(9(3)16)8(2)15-13/h5H,4,7H2,1-3H3

InChI Key

FBFOMFWBVIXBMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00742745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.058

Distribution Coefficient, logD

2.058

Water Solubility, LogSw

-2.44

Polar Surface Area

60.604

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

-2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

8003-0397 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 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 8003-0397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-0397?
Check Price and Availability of 8003-0397, 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 8003-0397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-0397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-0397
  • 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 8003-0397 available by request