2188-1868 Screening compound: 4-(4-chlorophenyl)-6-oxo-2-(prop-2-en-1-ylsulfanyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile
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
InChI Key
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
- 3D
- Nervous system
- Hemic and lymphatic
- Congenital
- Metabolic
- 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
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)