8012-7122 Screening compound: methyl 2-[(5-chloro-3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetate

8012-7122 Screening compound: methyl 2-[(5-chloro-3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetate
8012-7122 Screening compound: methyl 2-[(5-chloro-3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7122
methyl 2-[(5-chloro-3-cyano-4,6-dimethylpyridin-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

8012-7122

Molecular Formula

C11H11ClN2O2S (C11 H11 ClN2 O2 S)

Compound Name

methyl 2-[(5-chloro-3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetate

IUPAC name

methyl 2-[(5-chloro-3-cyano-46-dimethylpyridin-2-yl)sulfanyl]acetate

SMILES

Cc(c(Cl)c(C)nc1SCC(OC)=O)c1C#N

InChI

InChI=1S/C11H11ClN2O2S/c1-6-8(4-13)11(14-7(2)10(6)12)17-5-9(15)16-3/h5H2,1-3H3

InChI Key

XYRBIOFQTKWZIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03034887

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

270.74

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.646

Distribution Coefficient, logD

2.646

Water Solubility, LogSw

-3.79

Polar Surface Area

47.198

Acid Dissociation Constant (pKa)

20.18

Base Dissociation Constant (pKb)

0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

8012-7122 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 8012-7122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7122?
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What is the minimum amount of 8012-7122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7122
  • 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 8012-7122 available by request