2196-0473 Screening compound: 3-[(2-methoxyphenyl)methyl]-1-phenylpyrrolidine-2,5-dione
Chemical Structure Depiction of ChemDiv screening compound 2196-0473
3-[(2-methoxyphenyl)methyl]-1-phenylpyrrolidine-2,5-dione
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
2196-0473
Molecular Formula
C18H17NO3 (C18 H17 NO3)
Compound Name
3-[(2-methoxyphenyl)methyl]-1-phenylpyrrolidine-2,5-dione
IUPAC name
3-[(2-methoxyphenyl)methyl]-1-phenylpyrrolidine-25-dione
SMILES
COc1c(CC(CC(N2c3ccccc3)=O)C2=O)cccc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
295.34
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
2.478
Distribution Coefficient, logD
2.478
Water Solubility, LogSw
-2.50
Polar Surface Area
36.788
Acid Dissociation Constant (pKa)
16.64
Base Dissociation Constant (pKb)
-4.76
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
22.20
2196-0473 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Anti-Aging Library (44940 compounds)
Dark Chemical Matter Library (18430 compounds)
Selective Target Activity Profiling Library (14702 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
- Pool
- Cancer
- Musculoskeletal
- Metabolic
- Immune system
- Epigenetic
References: we are preparing a list of scientific research reports with 2196-0473 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)