S381-1166 Screening compound: 3-benzyl-7-(3,5-dimethylbenzoyl)-1,3,7-triazaspiro[4.5]decane-2,4-dione
Chemical Structure Depiction of ChemDiv screening compound S381-1166
3-benzyl-7-(3,5-dimethylbenzoyl)-1,3,7-triazaspiro[4.5]decane-2,4-dione
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
S381-1166
Molecular Formula
C23H25N3O3 (C23 H25 N3 O3)
Compound Name
3-benzyl-7-(3,5-dimethylbenzoyl)-1,3,7-triazaspiro[4.5]decane-2,4-dione
IUPAC name
3-benzyl-7-(35-dimethylbenzoyl)-137-triazaspiro[4.5]decane-24-dione
SMILES
Cc1cc(C(N(CCC2)CC2(C(N2Cc3ccccc3)=O)NC2=O)=O)cc(C)c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
391.47
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
3.091
Distribution Coefficient, logD
3.091
Water Solubility, LogSw
-3.32
Polar Surface Area
58.227
Acid Dissociation Constant (pKa)
10.81
Base Dissociation Constant (pKb)
-1.81
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
34.80
S381-1166 in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
Spiro Library (21655 compounds)
Alpha-Helix Mimetics Library (25899 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
- Mimetics
- Cyclic compounds
- Mimetics
- Cyclic compounds
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- Cancer
- Endocrine
References: we are preparing a list of scientific research reports with S381-1166 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)