S630-0057 Screening compound: 3-phenyl-2-(propan-2-yl)-2,7-diazaspiro[3.5]nonan-1-one
Chemical Structure Depiction of ChemDiv screening compound S630-0057
3-phenyl-2-(propan-2-yl)-2,7-diazaspiro[3.5]nonan-1-one
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
S630-0057
Molecular Formula
C16H22N2O (C16 H22 N2 O)
Compound Name
3-phenyl-2-(propan-2-yl)-2,7-diazaspiro[3.5]nonan-1-one
IUPAC name
3-phenyl-2-(propan-2-yl)-27-diazaspiro[3.5]nonan-1-one
SMILES
CC(C)N(C(C12CCNCC2)c2ccccc2)C1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
258.36
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
1.560
Distribution Coefficient, logD
-2.935
Water Solubility, LogSw
-1.83
Polar Surface Area
28.127
Acid Dissociation Constant (pKa)
25.71
Base Dissociation Constant (pKb)
11.89
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
56.25
S630-0057 in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
3D-Fragment Library (4274 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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
- 3D
- Fragments
- Cyclic compounds
- Cyclic compounds
- PPI modulators
- PPI modulators
References: we are preparing a list of scientific research reports with S630-0057 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)