3448-2637 Screening compound: 4,6-dimethyl-2-{[(phenylsulfanyl)methyl]sulfanyl}pyridine-3-carbonitrile

3448-2637 Screening compound: 4,6-dimethyl-2-{[(phenylsulfanyl)methyl]sulfanyl}pyridine-3-carbonitrile
3448-2637 Screening compound: 4,6-dimethyl-2-{[(phenylsulfanyl)methyl]sulfanyl}pyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-2637
4,6-dimethyl-2-{[(phenylsulfanyl)methyl]sulfanyl}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

3448-2637

Molecular Formula

C15H14N2S2 (C15 H14 N2 S2)

Compound Name

4,6-dimethyl-2-{[(phenylsulfanyl)methyl]sulfanyl}pyridine-3-carbonitrile

IUPAC name

46-dimethyl-2-{[(phenylsulfanyl)methyl]sulfanyl}pyridine-3-carbonitrile

SMILES

Cc(cc(C)nc1SCSc2ccccc2)c1C#N

InChI

InChI=1S/C15H14N2S2/c1-11-8-12(2)17-15(14(11)9-16)19-10-18-13-6-4-3-5-7-13/h3-8H,10H2,1-2H3

InChI Key

JPQKMGZWDPMFCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02642551

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.252

Distribution Coefficient, logD

4.252

Water Solubility, LogSw

-4.43

Polar Surface Area

25.577

Acid Dissociation Constant (pKa)

29.62

Base Dissociation Constant (pKb)

2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

3448-2637 in Drug Discovery

Included in Screening Libraries

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

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3448-2637 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-2637?
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What is the minimum amount of 3448-2637 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-2637
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-2637
  • 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 3448-2637 available by request