3329-3799 Screening compound: 4-(2-ethoxyphenyl)-6-(methylsulfanyl)-2-oxo-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile

3329-3799 Screening compound: 4-(2-ethoxyphenyl)-6-(methylsulfanyl)-2-oxo-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile
3329-3799 Screening compound: 4-(2-ethoxyphenyl)-6-(methylsulfanyl)-2-oxo-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3329-3799
4-(2-ethoxyphenyl)-6-(methylsulfanyl)-2-oxo-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile

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

3329-3799

Molecular Formula

C16H15N3O2S (C16 H15 N3 O2 S)

Compound Name

4-(2-ethoxyphenyl)-6-(methylsulfanyl)-2-oxo-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile

IUPAC name

4-(2-ethoxyphenyl)-6-(methylsulfanyl)-2-oxo-1234-tetrahydropyridine-35-dicarbonitrile

SMILES

CCOc1c(C(C(C(N2)=O)C#N)C(C#N)=C2SC)cccc1

InChI

InChI=1S/C16H15N3O2S/c1-3-21-13-7-5-4-6-10(13)14-11(8-17)15(20)19-16(22-2)12(14)9-18/h4-7,11,14H,3H2,1-2H3,(H,19,20)

InChI Key

ACJTUEFXZGJJGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02232575

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.247

Distribution Coefficient, logD

2.102

Water Solubility, LogSw

-2.79

Polar Surface Area

65.510

Acid Dissociation Constant (pKa)

7.80

Base Dissociation Constant (pKb)

-4.59

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.30

3329-3799 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3329-3799 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3329-3799?
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What is the minimum amount of 3329-3799 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3329-3799
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3329-3799
  • 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 3329-3799 available by request