4478-4791 Screening compound: 2-(benzylsulfanyl)-6-phenyl-4-(thiophen-2-yl)pyridine-3-carbonitrile

4478-4791 Screening compound: 2-(benzylsulfanyl)-6-phenyl-4-(thiophen-2-yl)pyridine-3-carbonitrile
4478-4791 Screening compound: 2-(benzylsulfanyl)-6-phenyl-4-(thiophen-2-yl)pyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4478-4791
2-(benzylsulfanyl)-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

4478-4791

Molecular Formula

C23H16N2S2 (C23 H16 N2 S2)

Compound Name

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

IUPAC name

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

SMILES

N#Cc(c(SCc1ccccc1)nc(-c1ccccc1)c1)c1-c1cccs1

InChI

InChI=1S/C23H16N2S2/c24-15-20-19(22-12-7-13-26-22)14-21(18-10-5-2-6-11-18)25-23(20)27-16-17-8-3-1-4-9-17/h1-14H,16H2

InChI Key

TZFDOXHMDRIYME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02025094

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.53

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.638

Distribution Coefficient, logD

6.638

Water Solubility, LogSw

-6.50

Polar Surface Area

26.246

Acid Dissociation Constant (pKa)

25.71

Base Dissociation Constant (pKb)

1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

4478-4791 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4478-4791 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4478-4791?
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What is the minimum amount of 4478-4791 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4478-4791
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4478-4791
  • 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 4478-4791 available by request