S726-0005 Screening compound: 4-[2-(pyridin-4-yloxy)ethyl]-1-oxa-9-azaspiro[5.5]undecane
Chemical Structure Depiction of ChemDiv screening compound S726-0005
4-[2-(pyridin-4-yloxy)ethyl]-1-oxa-9-azaspiro[5.5]undecane
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
S726-0005
Molecular Formula
C16H24N2O2 (C16 H24 N2 O2)
Compound Name
4-[2-(pyridin-4-yloxy)ethyl]-1-oxa-9-azaspiro[5.5]undecane
IUPAC name
4-[2-(pyridin-4-yloxy)ethyl]-1-oxa-9-azaspiro[5.5]undecane
SMILES
C(COc1ccncc1)C1CC2(CCNCC2)OCC1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
2HCl
Molecular Weight
276.38
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
1.117
Distribution Coefficient, logD
-1.586
Water Solubility, LogSw
-1.24
Polar Surface Area
35.567
Acid Dissociation Constant (pKa)
25.92
Base Dissociation Constant (pKb)
10.10
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
68.80
S726-0005 in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
CNS BBB Library (22607 compounds)
GPCR Targeted Library (31838 compounds)
Protein-Protein Interaction Library (218420 compounds)
Soluble Diversity Library (15920 compounds)
Spiro Library (21655 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
- 3D
- Cyclic compounds
- Cyclic compounds
- Nervous system
- Nervous system
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Nervous system
- Cardiovascular
- GPCR
- Ion Channels
- Receptor's ligands
- PPI modulators
- PPI modulators
- Agro
References: we are preparing a list of scientific research reports with S726-0005 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)