3329-3819 Screening compound: ethyl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate

3329-3819 Screening compound: ethyl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
3329-3819 Screening compound: ethyl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3329-3819
ethyl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-(2-ethoxyphenyl)-2-oxo-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

3329-3819

Molecular Formula

C21H24N2O6S (C21 H24 N2 O6 S)

Compound Name

ethyl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate

IUPAC name

ethyl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-(2-ethoxyphenyl)-2-oxo-1234-tetrahydropyridine-3-carboxylate

SMILES

CCOC(CSC(NC(C(C1c(cccc2)c2OCC)C(OCC)=O)=O)=C1C#N)=O

InChI

InChI=1S/C21H24N2O6S/c1-4-27-15-10-8-7-9-13(15)17-14(11-22)20(30-12-16(24)28-5-2)23-19(25)18(17)21(26)29-6-3/h7-10,17-18H,4-6,12H2,1-3H3,(H,23,25)

InChI Key

YMOZHARHKKSQPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03286659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.972

Distribution Coefficient, logD

2.841

Water Solubility, LogSw

-3.36

Polar Surface Area

89.367

Acid Dissociation Constant (pKa)

7.85

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.90

3329-3819 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 3329-3819 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3329-3819?
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What is the minimum amount of 3329-3819 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3329-3819
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3329-3819
  • 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 3329-3819 available by request