3329-3781 Screening compound: 6-(benzylsulfanyl)-4-(2-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile

3329-3781 Screening compound: 6-(benzylsulfanyl)-4-(2-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile
3329-3781 Screening compound: 6-(benzylsulfanyl)-4-(2-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3329-3781
6-(benzylsulfanyl)-4-(2-methylphenyl)-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

3329-3781

Molecular Formula

C21H17N3OS (C21 H17 N3 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(C(C(N2)=O)C#N)C(C#N)=C2SCc2ccccc2)cccc1

InChI

InChI=1S/C21H17N3OS/c1-14-7-5-6-10-16(14)19-17(11-22)20(25)24-21(18(19)12-23)26-13-15-8-3-2-4-9-15/h2-10,17,19H,13H2,1H3,(H,24,25)

InChI Key

NBCDHRJSGGKJIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04408883

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.344

Distribution Coefficient, logD

3.310

Water Solubility, LogSw

-3.51

Polar Surface Area

58.029

Acid Dissociation Constant (pKa)

8.49

Base Dissociation Constant (pKb)

-5.72

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

19.00

3329-3781 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3329-3781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3329-3781?
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What is the minimum amount of 3329-3781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3329-3781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3329-3781
  • 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 3329-3781 available by request