8001-8137 Screening compound: ethyl 2-[(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanyl]acetate

8001-8137 Screening compound: ethyl 2-[(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanyl]acetate
8001-8137 Screening compound: ethyl 2-[(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-8137
ethyl 2-[(3-cyano-6-ethyl-5-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

8001-8137

Molecular Formula

C13H16N2O2S (C13 H16 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCc(nc1SCC(OCC)=O)c(C)cc1C#N

InChI

InChI=1S/C13H16N2O2S/c1-4-11-9(3)6-10(7-14)13(15-11)18-8-12(16)17-5-2/h6H,4-5,8H2,1-3H3

InChI Key

NAIFMSYVONBURM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00473162

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

264.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.078

Distribution Coefficient, logD

3.078

Water Solubility, LogSw

-3.12

Polar Surface Area

47.466

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

2.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

8001-8137 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8001-8137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-8137?
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What is the minimum amount of 8001-8137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-8137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-8137
  • 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 8001-8137 available by request