4478-4787 Screening compound: 2-(methylsulfanyl)-6-phenyl-4-(thiophen-2-yl)pyridine-3-carbonitrile

4478-4787 Screening compound: 2-(methylsulfanyl)-6-phenyl-4-(thiophen-2-yl)pyridine-3-carbonitrile
4478-4787 Screening compound: 2-(methylsulfanyl)-6-phenyl-4-(thiophen-2-yl)pyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4478-4787
2-(methylsulfanyl)-6-phenyl-4-(thiophen-2-yl)pyridine-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

4478-4787

Molecular Formula

C17H12N2S2 (C17 H12 N2 S2)

Compound Name

2-(methylsulfanyl)-6-phenyl-4-(thiophen-2-yl)pyridine-3-carbonitrile

IUPAC name

2-(methylsulfanyl)-6-phenyl-4-(thiophen-2-yl)pyridine-3-carbonitrile

SMILES

CSc1nc(-c2ccccc2)cc(-c2cccs2)c1C#N

InChI

InChI=1S/C17H12N2S2/c1-20-17-14(11-18)13(16-8-5-9-21-16)10-15(19-17)12-6-3-2-4-7-12/h2-10H,1H3

InChI Key

HLLNKDNDZXVPRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02025096

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.43

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

5.487

Distribution Coefficient, logD

5.487

Water Solubility, LogSw

-5.97

Polar Surface Area

26.517

Acid Dissociation Constant (pKa)

29.59

Base Dissociation Constant (pKb)

1.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

4478-4787 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

GABA Library (7115 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Eye
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
  • Epigenetic
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 4478-4787 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4478-4787?
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What is the minimum amount of 4478-4787 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4478-4787
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4478-4787
  • 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 4478-4787 available by request