3329-3811 Screening compound: 6-(benzylsulfanyl)-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile

3329-3811 Screening compound: 6-(benzylsulfanyl)-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile
3329-3811 Screening compound: 6-(benzylsulfanyl)-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3329-3811
6-(benzylsulfanyl)-4-(2-ethoxyphenyl)-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

3329-3811

Molecular Formula

C22H19N3O2S (C22 H19 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc1c(C(C(C(N2)=O)C#N)C(C#N)=C2SCc2ccccc2)cccc1

InChI

InChI=1S/C22H19N3O2S/c1-2-27-19-11-7-6-10-16(19)20-17(12-23)21(26)25-22(18(20)13-24)28-14-15-8-4-3-5-9-15/h3-11,17,20H,2,14H2,1H3,(H,25,26)

InChI Key

XBFVNOPMQNMMRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02232576

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.48

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

3.456

Distribution Coefficient, logD

3.422

Water Solubility, LogSw

-3.67

Polar Surface Area

65.239

Acid Dissociation Constant (pKa)

8.49

Base Dissociation Constant (pKb)

-4.98

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.70

3329-3811 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 3329-3811 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3329-3811?
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What is the minimum amount of 3329-3811 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3329-3811
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3329-3811
  • 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 3329-3811 available by request