S512-0114 Screening compound: 1-(4-fluorobenzoyl)-3-phenoxypyrrolidine
Chemical Structure Depiction of ChemDiv screening compound S512-0114
1-(4-fluorobenzoyl)-3-phenoxypyrrolidine
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
S512-0114
Molecular Formula
C17H16FNO2 (C17 H16 FNO2)
Compound Name
1-(4-fluorobenzoyl)-3-phenoxypyrrolidine
IUPAC name
1-(4-fluorobenzoyl)-3-phenoxypyrrolidine
SMILES
O=C(c(cc1)ccc1F)N(CC1)CC1Oc1ccccc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
285.32
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
2.909
Distribution Coefficient, logD
2.909
Water Solubility, LogSw
-3.08
Polar Surface Area
23.448
Acid Dissociation Constant (pKa)
26.87
Base Dissociation Constant (pKb)
-5.27
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
23.53
S512-0114 in Drug Discovery
Included in Screening Libraries
3D-Fragment Library (4274 compounds)
Anti-Aging Library (44940 compounds)
Protein-Protein Interaction Library (218420 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- 3D
- Fragments
- Cyclic compounds
- Cancer
- Musculoskeletal
- Metabolic
- Immune system
- Epigenetic
- PPI modulators
References: we are preparing a list of scientific research reports with S512-0114 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)