D398-0376 Screening compound: 2-(4-ethoxyphenyl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethan-1-one
Chemical Structure Depiction of ChemDiv screening compound D398-0376
2-(4-ethoxyphenyl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethan-1-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
D398-0376
Molecular Formula
C21H25NO2 (C21 H25 NO2)
Compound Name
2-(4-ethoxyphenyl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethan-1-one
IUPAC name
2-(4-ethoxyphenyl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethan-1-one
SMILES
CCOc1ccc(CC(N(CCC2)C2c2cc(C)ccc2)=O)cc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
323.44
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
4.290
Distribution Coefficient, logD
4.290
Water Solubility, LogSw
-4.23
Polar Surface Area
23.271
Acid Dissociation Constant (pKa)
18.21
Base Dissociation Constant (pKb)
-3.66
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
38.10
D398-0376 in Drug Discovery
Included in Screening Libraries
Macl-GPIb alpha Interaction Library (22969 compounds)
Protein-Protein Interaction Library (218420 compounds)
Serine Proteases Inhibitors Library (32732 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Epitranscriptome Focused Small Molecule Library (20952 compounds)
Included in 1.7M Stock Database
- Hemic and lymphatic
- Cardiovascular
- Infections
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Cardiovascular
- Skin
- Metabolic
- Immune system
- Nervous system
- Hemic and lymphatic
- Congenital
- Metabolic
- PPI modulators
- Epigenetic
- Proteases
- Cyclic compounds
References: we are preparing a list of scientific research reports with D398-0376 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)