Y031-4801 Screening compound: 1-(3,4-dimethylphenyl)-N-[2-(morpholin-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
Chemical Structure Depiction of ChemDiv screening compound Y031-4801
1-(3,4-dimethylphenyl)-N-[2-(morpholin-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
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
Y031-4801
Molecular Formula
C19H27N3O3 (C19 H27 N3 O3)
Compound Name
1-(3,4-dimethylphenyl)-N-[2-(morpholin-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
IUPAC name
1-(34-dimethylphenyl)-N-[2-(morpholin-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILES
Cc(cc1)c(C)cc1N(CC(C1)C(NCCN2CCOCC2)=O)C1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
345.44
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
1.367
Distribution Coefficient, logD
1.276
Water Solubility, LogSw
-2.02
Polar Surface Area
53.134
Acid Dissociation Constant (pKa)
12.67
Base Dissociation Constant (pKb)
6.77
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
57.90
Y031-4801 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Antiviral Annotated Library (21441 compounds)
Dark Chemical Matter Library (18430 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
References: we are preparing a list of scientific research reports with Y031-4801 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)