D398-0353 Screening compound: 1-(furan-2-carbonyl)-2-(3-methylphenyl)pyrrolidine
Chemical Structure Depiction of ChemDiv screening compound D398-0353
1-(furan-2-carbonyl)-2-(3-methylphenyl)pyrrolidine
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
D398-0353
Molecular Formula
C16H17NO2 (C16 H17 NO2)
Compound Name
1-(furan-2-carbonyl)-2-(3-methylphenyl)pyrrolidine
IUPAC name
1-(furan-2-carbonyl)-2-(3-methylphenyl)pyrrolidine
SMILES
Cc1cccc(C(CCC2)N2C(c2ccco2)=O)c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
255.32
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
3.026
Distribution Coefficient, logD
3.026
Water Solubility, LogSw
-2.88
Polar Surface Area
25.253
Acid Dissociation Constant (pKa)
24.61
Base Dissociation Constant (pKb)
-4.65
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
31.25
D398-0353 in Drug Discovery
Included in Screening Libraries
3D-Fragment Library (4274 compounds)
Anti-Aging Library (44940 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Cardiovascular Library (22201 compounds)
Protein-Protein Interaction Library (218420 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
MDM2-p53 interaction inhibitors Library (21687 compounds)
Included in 1.7M Stock Database
- 3D
- Fragments
- Cyclic compounds
- Cancer
- Musculoskeletal
- Metabolic
- Immune system
- Cardiovascular
- Cancer
- Epigenetic
- PPI modulators
- PPI modulators
References: we are preparing a list of scientific research reports with D398-0353 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)