S952-5357 Screening compound: 2-[4-cyano-3-(trifluoromethyl)phenyl]-N-cyclopropyl-2,8-diazaspiro[4.5]decane-4-carboxamide
Chemical Structure Depiction of ChemDiv screening compound S952-5357
2-[4-cyano-3-(trifluoromethyl)phenyl]-N-cyclopropyl-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
S952-5357
Molecular Formula
C20H23F3N4O (C20 H23 F3 N4 O)
Compound Name
2-[4-cyano-3-(trifluoromethyl)phenyl]-N-cyclopropyl-2,8-diazaspiro[4.5]decane-4-carboxamide
IUPAC name
2-[4-cyano-3-(trifluoromethyl)phenyl]-N-cyclopropyl-28-diazaspiro[4.5]decane-4-carboxamide
SMILES
N#Cc(cc1)c(C(F)(F)F)cc1N(C1)CC2(CCNCC2)C1C(NC1CC1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
HCl
Molecular Weight
392.42
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
1.301
Distribution Coefficient, logD
-1.144
Water Solubility, LogSw
-2.39
Polar Surface Area
57.331
Acid Dissociation Constant (pKa)
12.47
Base Dissociation Constant (pKb)
9.84
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
60.00
S952-5357 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
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 S952-5357 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)