S423-0023 Screening compound: 4-methoxy-9-(pyridine-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecane
Chemical Structure Depiction of ChemDiv screening compound S423-0023
4-methoxy-9-(pyridine-3-carbonyl)-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
S423-0023
Molecular Formula
C16H22N2O3 (C16 H22 N2 O3)
Compound Name
4-methoxy-9-(pyridine-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecane
IUPAC name
4-methoxy-9-(pyridine-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecane
SMILES
COC1CC(CC2)(CCN2C(c2cnccc2)=O)OCC1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
290.36
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
0.292
Distribution Coefficient, logD
0.292
Water Solubility, LogSw
-0.44
Polar Surface Area
40.064
Acid Dissociation Constant (pKa)
27.78
Base Dissociation Constant (pKb)
3.49
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
62.50
S423-0023 in Drug Discovery
Included in Screening Libraries
3D-Fragment Library (4274 compounds)
Bcl2-PPI Inhibitors Library (12246 compounds)
Protein-Protein Interaction Library (218420 compounds)
Spiro Library (21655 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Inhibitors of beta-Catenin Signaling (7445 compounds)
SH2 PTB Focused Library (6188 compounds)
Included in 1.7M Stock Database
- 3D
- Fragments
- Cyclic compounds
- Cyclic compounds
- Cancer
- Hemic and lymphatic
- PPI modulators
- PPI modulators
- PPI modulators
References: we are preparing a list of scientific research reports with S423-0023 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)