P158-0037 Screening compound: 1-[(4-ethenylphenyl)methyl]-3-(pyrrolidine-1-sulfonyl)-1,2-dihydropyridin-2-one
Chemical Structure Depiction of ChemDiv screening compound P158-0037
1-[(4-ethenylphenyl)methyl]-3-(pyrrolidine-1-sulfonyl)-1,2-dihydropyridin-2-one
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
P158-0037
Molecular Formula
C18H20N2O3S (C18 H20 N2 O3 S)
Compound Name
1-[(4-ethenylphenyl)methyl]-3-(pyrrolidine-1-sulfonyl)-1,2-dihydropyridin-2-one
IUPAC name
1-[(4-ethenylphenyl)methyl]-3-(pyrrolidine-1-sulfonyl)-12-dihydropyridin-2-one
SMILES
C=Cc1ccc(CN(C=CC=C2S(N3CCCC3)(=O)=O)C2=O)cc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
344.43
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
2.114
Distribution Coefficient, logD
2.114
Water Solubility, LogSw
-2.55
Polar Surface Area
48.030
Acid Dissociation Constant (pKa)
27.94
Base Dissociation Constant (pKb)
-4.14
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
27.80
P158-0037 in Drug Discovery
Included in Screening Libraries
SmartTM Library (51161 compounds)
Targeted Diversity Library (40567 compounds)
Akt-Targeted Library (14764 compounds)
Epitranscriptome Focused Small Molecule Library (20952 compounds)
Included in 1.7M Stock Database
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Skin
- Nervous system
- Hemic and lymphatic
- Congenital
- Metabolic
- Kinases
- Epigenetic
References: we are preparing a list of scientific research reports with P158-0037 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)