2188-1868 Screening compound: 4-(4-chlorophenyl)-6-oxo-2-(prop-2-en-1-ylsulfanyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile

2188-1868 Screening compound: 4-(4-chlorophenyl)-6-oxo-2-(prop-2-en-1-ylsulfanyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile
2188-1868 Screening compound: 4-(4-chlorophenyl)-6-oxo-2-(prop-2-en-1-ylsulfanyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 2188-1868
4-(4-chlorophenyl)-6-oxo-2-(prop-2-en-1-ylsulfanyl)-1,4,5,6-tetrahydropyridine-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

2188-1868

Molecular Formula

C15H13ClN2OS (C15 H13 ClN2 OS)

Compound Name

4-(4-chlorophenyl)-6-oxo-2-(prop-2-en-1-ylsulfanyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile

IUPAC name

4-(4-chlorophenyl)-6-oxo-2-(prop-2-en-1-ylsulfanyl)-1456-tetrahydropyridine-3-carbonitrile

SMILES

C=CCSC(NC(CC1c(cc2)ccc2Cl)=O)=C1C#N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.8

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.304

Distribution Coefficient, logD

3.236

Water Solubility, LogSw

-4.02

Polar Surface Area

41.187

Acid Dissociation Constant (pKa)

8.17

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

2188-1868 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 2188-1868 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2188-1868?
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What is the minimum amount of 2188-1868 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2188-1868
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2188-1868
  • 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 2188-1868 available by request