4478-4778 Screening compound: 2-(benzylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile

4478-4778 Screening compound: 2-(benzylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile
4478-4778 Screening compound: 2-(benzylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4478-4778
2-(benzylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile

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

4478-4778

Molecular Formula

C15H14N2S (C15 H14 N2 S)

Compound Name

2-(benzylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile

IUPAC name

2-(benzylsulfanyl)-46-dimethylpyridine-3-carbonitrile

SMILES

Cc(cc(C)nc1SCc2ccccc2)c1C#N

InChI

InChI=1S/C15H14N2S/c1-11-8-12(2)17-15(14(11)9-16)18-10-13-6-4-3-5-7-13/h3-8H,10H2,1-2H3

InChI Key

GHNLSSZWWAAOHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00441442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

254.36

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.484

Distribution Coefficient, logD

3.484

Water Solubility, LogSw

-3.76

Polar Surface Area

25.577

Acid Dissociation Constant (pKa)

25.71

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

4478-4778 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

GABA Library (7115 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4478-4778 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4478-4778?
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What is the minimum amount of 4478-4778 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4478-4778
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4478-4778
  • 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 4478-4778 available by request