S232-1525 Screening compound: 3-({decahydropyrido[3,4-e][1,4]oxazepin-1-yl}methyl)pyridine
Chemical Structure Depiction of ChemDiv screening compound S232-1525
3-({decahydropyrido[3,4-e][1,4]oxazepin-1-yl}methyl)pyridine
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
S232-1525
Molecular Formula
C14H21N3O (C14 H21 N3 O)
Compound Name
3-({decahydropyrido[3,4-e][1,4]oxazepin-1-yl}methyl)pyridine
IUPAC name
3-{[(5aS9aS)-decahydropyrido[34-e][14]oxazepin-1-yl]methyl}pyridine
SMILES
C(c1cnccc1)N1[C@@H](CNCC2)[C@@H]2COCC1
InChI Key
Chemical and Physical Properties
Saltdata
2HCl
Molecular Weight
247.34
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
-0.435
Distribution Coefficient, logD
-2.697
Water Solubility, LogSw
-0.76
Polar Surface Area
33.494
Acid Dissociation Constant (pKa)
25.45
Base Dissociation Constant (pKb)
9.66
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
64.29
S232-1525 in Drug Discovery
Included in Screening Libraries
3D-Fragment Library (4274 compounds)
Allosteric Kinases Inhibitors Library (23117 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
CNS BBB Library (22607 compounds)
Protein-Protein Interaction Library (218420 compounds)
Soluble Diversity Library (15920 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Ion Channels Focused Library (26372 compounds)
Included in 1.7M Stock Database
- 3D
- Fragments
- Cyclic compounds
- Cancer
- Female
- Congenital
- Skin
- Nervous system
- Nervous system
- Nervous system
- Cardiovascular
- Kinases
- Ion Channels
- PPI modulators
References: we are preparing a list of scientific research reports with S232-1525 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)