4378-0095 Screening compound: 2-({[(4-chlorophenyl)methanesulfinyl]methyl}sulfanyl)-4,6-diphenylpyridine-3-carbonitrile

4378-0095 Screening compound: 2-({[(4-chlorophenyl)methanesulfinyl]methyl}sulfanyl)-4,6-diphenylpyridine-3-carbonitrile
4378-0095 Screening compound: 2-({[(4-chlorophenyl)methanesulfinyl]methyl}sulfanyl)-4,6-diphenylpyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4378-0095
2-({[(4-chlorophenyl)methanesulfinyl]methyl}sulfanyl)-4,6-diphenylpyridine-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

4378-0095

Molecular Formula

C26H19ClN2OS2 (C26 H19 ClN2 OS2)

Compound Name

2-({[(4-chlorophenyl)methanesulfinyl]methyl}sulfanyl)-4,6-diphenylpyridine-3-carbonitrile

IUPAC name

2-({[(4-chlorophenyl)methanesulfinyl]methyl}sulfanyl)-46-diphenylpyridine-3-carbonitrile

SMILES

N#Cc(c(SCS(Cc(cc1)ccc1Cl)=O)nc(-c1ccccc1)c1)c1-c1ccccc1

InChI

InChI=1S/C26H21ClN2OS2/c27-22-13-11-19(12-14-22)17-32(30)18-31-26-24(16-28)23(20-7-3-1-4-8-20)15-25(29-26)21-9-5-2-6-10-21/h1-15H,17-18,32H2

InChI Key

FDRPDUPZBRJXGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02972906

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.03

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.899

Distribution Coefficient, logD

6.899

Water Solubility, LogSw

-6.73

Polar Surface Area

40.271

Acid Dissociation Constant (pKa)

24.67

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

4378-0095 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4378-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4378-0095?
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What is the minimum amount of 4378-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4378-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4378-0095
  • 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 4378-0095 available by request