3329-3787 Screening compound: 6-(butylsulfanyl)-4-(2-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile

3329-3787 Screening compound: 6-(butylsulfanyl)-4-(2-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile
3329-3787 Screening compound: 6-(butylsulfanyl)-4-(2-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3329-3787
6-(butylsulfanyl)-4-(2-methoxyphenyl)-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

3329-3787

Molecular Formula

C18H19N3O2S (C18 H19 N3 O2 S)

Compound Name

6-(butylsulfanyl)-4-(2-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile

IUPAC name

6-(butylsulfanyl)-4-(2-methoxyphenyl)-2-oxo-1234-tetrahydropyridine-35-dicarbonitrile

SMILES

CCCCSC(NC(C(C1c(cccc2)c2OC)C#N)=O)=C1C#N

InChI

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

InChI Key

DAXHIKRBUFIOKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02999781

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

3.285

Distribution Coefficient, logD

3.227

Water Solubility, LogSw

-3.60

Polar Surface Area

65.931

Acid Dissociation Constant (pKa)

8.25

Base Dissociation Constant (pKb)

-3.79

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.90

3329-3787 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 3329-3787 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 3329-3787 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3329-3787
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3329-3787
  • 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 3329-3787 available by request