3329-3801 Screening compound: 4-(2-ethoxyphenyl)-2-oxo-6-(propylsulfanyl)-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile

3329-3801 Screening compound: 4-(2-ethoxyphenyl)-2-oxo-6-(propylsulfanyl)-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile
3329-3801 Screening compound: 4-(2-ethoxyphenyl)-2-oxo-6-(propylsulfanyl)-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3329-3801
4-(2-ethoxyphenyl)-2-oxo-6-(propylsulfanyl)-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

3329-3801

Molecular Formula

C18H19N3O2S (C18 H19 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCCSC(NC(C(C1c(cccc2)c2OCC)C#N)=O)=C1C#N

InChI

InChI=1S/C18H19N3O2S/c1-3-9-24-18-14(11-20)16(13(10-19)17(22)21-18)12-7-5-6-8-15(12)23-4-2/h5-8,13,16H,3-4,9H2,1-2H3,(H,21,22)

InChI Key

HSABLHXYGLDNPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02240952

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.011

Distribution Coefficient, logD

2.954

Water Solubility, LogSw

-3.34

Polar Surface Area

65.510

Acid Dissociation Constant (pKa)

8.25

Base Dissociation Constant (pKb)

-3.71

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.90

3329-3801 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 3329-3801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3329-3801?
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What is the minimum amount of 3329-3801 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3329-3801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3329-3801
  • 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 3329-3801 available by request