S721-0075 Screening compound: 4-[4-(pyridin-3-yloxy)pyrrolidine-2-carbonyl]morpholine
Chemical Structure Depiction of ChemDiv screening compound S721-0075
4-[4-(pyridin-3-yloxy)pyrrolidine-2-carbonyl]morpholine
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
S721-0075
Molecular Formula
C14H19N3O3 (C14 H19 N3 O3)
Compound Name
4-[4-(pyridin-3-yloxy)pyrrolidine-2-carbonyl]morpholine
IUPAC name
4-[(2S4S)-4-(pyridin-3-yloxy)pyrrolidine-2-carbonyl]morpholine
SMILES
O=C([C@H](C1)NC[C@H]1Oc1cnccc1)N1CCOCC1
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
277.32
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
-0.832
Distribution Coefficient, logD
-0.852
Water Solubility, LogSw
-0.68
Polar Surface Area
53.176
Acid Dissociation Constant (pKa)
21.44
Base Dissociation Constant (pKb)
6.08
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
57.14
S721-0075 in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
3D-Fragment Library (4274 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
CNS MPO Library (28609 compounds)
Natural-Product-Based Library (3730 compounds)
Protein-Protein Interaction Library (218420 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- 3D
- 3D
- Fragments
- Pool
- Cyclic compounds
- Nervous system
- PPI modulators
References: we are preparing a list of scientific research reports with S721-0075 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)