8003-0395 Screening compound: methyl 2-[(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl]acetate

8003-0395 Screening compound: methyl 2-[(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl]acetate
8003-0395 Screening compound: methyl 2-[(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-0395
methyl 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

8003-0395

Molecular Formula

C12H12N2O3S (C12 H12 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(c(cc1C#N)c(C)nc1SCC(OC)=O)=O

InChI

InChI=1S/C12H12N2O3S/c1-7-10(8(2)15)4-9(5-13)12(14-7)18-6-11(16)17-3/h4H,6H2,1-3H3

InChI Key

YOKVUUVRULZTDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00742744

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

264.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.467

Distribution Coefficient, logD

1.467

Water Solubility, LogSw

-2.03

Polar Surface Area

61.024

Acid Dissociation Constant (pKa)

20.57

Base Dissociation Constant (pKb)

-2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8003-0395 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8003-0395 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-0395?
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What is the minimum amount of 8003-0395 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-0395
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-0395
  • 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 8003-0395 available by request