S544-0967 Screening compound: 3-[2-(4-methylphenoxy)ethyl]pyrrolidine
Chemical Structure Depiction of ChemDiv screening compound S544-0967
3-[2-(4-methylphenoxy)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
S544-0967
Molecular Formula
C13H19NO (C13 H19 NO)
Compound Name
3-[2-(4-methylphenoxy)ethyl]pyrrolidine
IUPAC name
3-[2-(4-methylphenoxy)ethyl]pyrrolidine
SMILES
Cc(cc1)ccc1OCCC1CNCC1
InChI
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
HCl
Molecular Weight
205.3
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
2.833
Distribution Coefficient, logD
-1.481
Water Solubility, LogSw
-3.08
Polar Surface Area
19.834
Acid Dissociation Constant (pKa)
25.15
Base Dissociation Constant (pKb)
11.71
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
53.85
S544-0967 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)
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)
Included in 1.7M Stock Database
- 3D
- Fragments
- Cyclic compounds
- Cancer
- Musculoskeletal
- Metabolic
- Immune system
- Nervous system
- Nervous system
- Cardiovascular
- Epigenetic
- PPI modulators
References: we are preparing a list of scientific research reports with S544-0967 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)