D399-3582 Screening compound: N-(2,3-dimethylphenyl)-2-(4-fluorophenyl)pyrrolidine-1-carboxamide
Chemical Structure Depiction of ChemDiv screening compound D399-3582
N-(2,3-dimethylphenyl)-2-(4-fluorophenyl)pyrrolidine-1-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
D399-3582
Molecular Formula
C19H21FN2O (C19 H21 FN2 O)
Compound Name
N-(2,3-dimethylphenyl)-2-(4-fluorophenyl)pyrrolidine-1-carboxamide
IUPAC name
N-(23-dimethylphenyl)-2-(4-fluorophenyl)pyrrolidine-1-carboxamide
SMILES
Cc1cccc(NC(N(CCC2)C2c(cc2)ccc2F)=O)c1C
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
312.39
Hydrogen Bond Acceptors Count
2.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
4.494
Distribution Coefficient, logD
4.494
Water Solubility, LogSw
-4.17
Polar Surface Area
24.798
Acid Dissociation Constant (pKa)
14.65
Base Dissociation Constant (pKb)
-0.12
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
31.60
D399-3582 in Drug Discovery
Included in Screening Libraries
3CLpro Library (4801 compounds)
Anti-Aging Library (44940 compounds)
CORONAVIRUS Library (20774 compounds)
Protein-Protein Interaction Library (218420 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Cancer
- Musculoskeletal
- Metabolic
- Immune system
- Antiviral
- Infections
- Immune system
- Epigenetic
- PPI modulators
- Cyclic compounds
References: we are preparing a list of scientific research reports with D399-3582 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)