S423-1017 Screening compound: 9-[(6-methoxypyridin-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol
Chemical Structure Depiction of ChemDiv screening compound S423-1017
9-[(6-methoxypyridin-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol
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
S423-1017
Molecular Formula
C16H24N2O3 (C16 H24 N2 O3)
Compound Name
9-[(6-methoxypyridin-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol
IUPAC name
9-[(6-methoxypyridin-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol
SMILES
COc1cccc(CN(CC2)CCC2(C2)OCCC2O)n1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
292.38
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
1.694
Distribution Coefficient, logD
-0.078
Water Solubility, LogSw
-1.91
Polar Surface Area
42.850
Acid Dissociation Constant (pKa)
16.77
Base Dissociation Constant (pKb)
9.16
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
68.75
S423-1017 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
CNS MPO Library (28609 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)
Included in 1.7M Stock Database
- Nervous system
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Nervous system
- Cardiovascular
- GPCR
- Ion Channels
- Receptor's ligands
- PPI modulators
- PPI modulators
- Cyclic compounds
- Cyclic compounds
References: we are preparing a list of scientific research reports with S423-1017 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)