8010-5292 Screening compound: methyl 5-cyano-4-(2-ethoxyphenyl)-2-oxo-6-sulfanyl-1,2,3,4-tetrahydropyridine-3-carboxylate

8010-5292 Screening compound: methyl 5-cyano-4-(2-ethoxyphenyl)-2-oxo-6-sulfanyl-1,2,3,4-tetrahydropyridine-3-carboxylate
8010-5292 Screening compound: methyl 5-cyano-4-(2-ethoxyphenyl)-2-oxo-6-sulfanyl-1,2,3,4-tetrahydropyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-5292
methyl 5-cyano-4-(2-ethoxyphenyl)-2-oxo-6-sulfanyl-1,2,3,4-tetrahydropyridine-3-carboxylate

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

8010-5292

Molecular Formula

C16H16N2O4S (C16 H16 N2 O4 S)

Compound Name

methyl 5-cyano-4-(2-ethoxyphenyl)-2-oxo-6-sulfanyl-1,2,3,4-tetrahydropyridine-3-carboxylate

IUPAC name

methyl 5-cyano-4-(2-ethoxyphenyl)-2-oxo-6-sulfanyl-1234-tetrahydropyridine-3-carboxylate

SMILES

CCOc1c(C(C(C(OC)=O)C(N2)=O)C(C#N)=C2S)cccc1

InChI

InChI=1S/C16H16N2O4S/c1-3-22-11-7-5-4-6-9(11)12-10(8-17)15(23)18-14(19)13(12)16(20)21-2/h4-7,12-13,23H,3H2,1-2H3,(H,18,19)

InChI Key

XOZPMVQVWPEEBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02110601

Chemical and Physical Properties

Saltdata

O(CH2CH2)2NCH3

Molecular Weight

332.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.927

Distribution Coefficient, logD

-1.424

Water Solubility, LogSw

-2.48

Polar Surface Area

70.020

Acid Dissociation Constant (pKa)

4.05

Base Dissociation Constant (pKb)

-5.77

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.30

References: we are preparing a list of scientific research reports with 8010-5292 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-5292?
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What is the minimum amount of 8010-5292 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-5292
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-5292
  • 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 8010-5292 available by request