S544-0312 Screening compound: 3-[2-(2-fluorophenoxy)ethyl]pyrrolidine
Chemical Structure Depiction of ChemDiv screening compound S544-0312
3-[2-(2-fluorophenoxy)ethyl]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
S544-0312
Molecular Formula
C12H16FNO (C12 H16 FNO)
Compound Name
3-[2-(2-fluorophenoxy)ethyl]pyrrolidine
IUPAC name
3-[2-(2-fluorophenoxy)ethyl]pyrrolidine
SMILES
Fc(cccc1)c1OCCC1CNCC1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
HCl
Molecular Weight
209.26
Hydrogen Bond Acceptors Count
2.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
2
Partition Coefficient, logP
2.424
Distribution Coefficient, logD
-1.890
Water Solubility, LogSw
-2.47
Polar Surface Area
19.921
Acid Dissociation Constant (pKa)
25.15
Base Dissociation Constant (pKb)
11.71
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
50.00
S544-0312 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
CNS BBB Library (22607 compounds)
Cardiovascular Library (22201 compounds)
Protein-Protein Interaction Library (218420 compounds)
Soluble Diversity Library (15920 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Ion Channels Focused Library (26372 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Nervous system
- Nervous system
- Cardiovascular
- Nervous system
- Cardiovascular
- PPI modulators
- Cyclic compounds
- Ion Channels
- Agro
References: we are preparing a list of scientific research reports with S544-0312 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)