S952-5558 Screening compound: 2-[4-cyano-3-(trifluoromethyl)phenyl]-N,N-dimethyl-8-[(6-methyl-2-pyridyl)carbonyl]-2,8-diazaspiro[4.5]decane-4-carboxamide
Chemical Structure Depiction of ChemDiv screening compound S952-5558
2-[4-cyano-3-(trifluoromethyl)phenyl]-N,N-dimethyl-8-[(6-methyl-2-pyridyl)carbonyl]-2,8-diazaspiro[4.5]decane-4-carboxamide
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
S952-5558
Molecular Formula
C26H28F3N5O2 (C26 H28 F3 N5 O2)
Compound Name
2-[4-cyano-3-(trifluoromethyl)phenyl]-N,N-dimethyl-8-[(6-methyl-2-pyridyl)carbonyl]-2,8-diazaspiro[4.5]decane-4-carboxamide
IUPAC name
2-[4-cyano-3-(trifluoromethyl)phenyl]-NN-dimethyl-8-(6-methylpyridine-2-carbonyl)-28-diazaspiro[4.5]decane-4-carboxamide
SMILES
Cc1cccc(C(N(CC2)CCC2(CN(C2)c(cc3)cc(C(F)(F)F)c3C#N)C2C(N(C)C)=O)=O)n1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
499.54
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
2.049
Distribution Coefficient, logD
2.049
Water Solubility, LogSw
-2.77
Polar Surface Area
61.779
Acid Dissociation Constant (pKa)
23.31
Base Dissociation Constant (pKb)
2.42
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
46.15
S952-5558 in Drug Discovery
Included in Screening Libraries
Androgen Receptor Antagonists Library (4240 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
Peptidomimetic Library (37031 compounds)
Included in 1.7M Stock Database
- Cancer
- Male
- Skin
- Endocrine
- Nuclear receptors
- Receptor's ligands
- PPI modulators
- PPI modulators
- PPI modulators
- Mimetics
- Mimetics
References: we are preparing a list of scientific research reports with S952-5558 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)