SA57-0547 Screening compound: 4-[(4-methylpyridin-2-yl)oxy]-9-(1-phenylcyclopropanecarbonyl)-1-oxa-9-azaspiro[5.5]undecane
Chemical Structure Depiction of ChemDiv screening compound SA57-0547
4-[(4-methylpyridin-2-yl)oxy]-9-(1-phenylcyclopropanecarbonyl)-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
SA57-0547
Molecular Formula
C25H30N2O3 (C25 H30 N2 O3)
Compound Name
4-[(4-methylpyridin-2-yl)oxy]-9-(1-phenylcyclopropanecarbonyl)-1-oxa-9-azaspiro[5.5]undecane
IUPAC name
4-[(4-methylpyridin-2-yl)oxy]-9-(1-phenylcyclopropanecarbonyl)-1-oxa-9-azaspiro[5.5]undecane
SMILES
Cc1cc(OC2CC(CC3)(CCN3C(C3(CC3)c3ccccc3)=O)OCC2)ncc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
406.52
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
3.395
Distribution Coefficient, logD
3.395
Water Solubility, LogSw
-3.53
Polar Surface Area
38.950
Acid Dissociation Constant (pKa)
21.04
Base Dissociation Constant (pKb)
1.83
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
52.00
SA57-0547 in Drug Discovery
Included in Screening Libraries
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
Included in 1.7M Stock Database
- PPI modulators
- PPI modulators
- Mimetics
References: we are preparing a list of scientific research reports with SA57-0547 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)