S423-1039 Screening compound: 9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol
Chemical Structure Depiction of ChemDiv screening compound S423-1039
9-[(3,5-dimethyl-1,2-oxazol-4-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
S423-1039
Molecular Formula
C15H24N2O3 (C15 H24 N2 O3)
Compound Name
9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol
IUPAC name
9-[(35-dimethyl-12-oxazol-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol
SMILES
Cc1noc(C)c1CN(CC1)CCC1(C1)OCCC1O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
280.37
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
1.111
Distribution Coefficient, logD
-1.495
Water Solubility, LogSw
-1.12
Polar Surface Area
48.333
Acid Dissociation Constant (pKa)
16.77
Base Dissociation Constant (pKb)
10.00
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
80.00
S423-1039 in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
3D-Pharmacophore Based Diversity Library (49813 compounds)
CNS MPO Library (28609 compounds)
Protein-Protein Interaction Library (218420 compounds)
Soluble Diversity Library (15920 compounds)
Spiro Library (21655 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- 3D
- Cyclic compounds
- Cyclic compounds
- Nervous system
- PPI modulators
- PPI modulators
References: we are preparing a list of scientific research reports with S423-1039 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)