S953-5006 Screening compound: 2-[4-cyano-3-(trifluoromethyl)phenyl]-8-(2-methoxyacetyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
Chemical Structure Depiction of ChemDiv screening compound S953-5006
2-[4-cyano-3-(trifluoromethyl)phenyl]-8-(2-methoxyacetyl)-2,8-diazaspiro[4.5]decane-3-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
S953-5006
Molecular Formula
C20H23F3N4O3 (C20 H23 F3 N4 O3)
Compound Name
2-[4-cyano-3-(trifluoromethyl)phenyl]-8-(2-methoxyacetyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
IUPAC name
2-[4-cyano-3-(trifluoromethyl)phenyl]-8-(2-methoxyacetyl)-28-diazaspiro[4.5]decane-3-carboxamide
SMILES
COCC(N1CCC(CC2C(N)=O)(CN2c(cc2)cc(C(F)(F)F)c2C#N)CC1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
424.42
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
0.542
Distribution Coefficient, logD
0.542
Water Solubility, LogSw
-2.20
Polar Surface Area
79.344
Acid Dissociation Constant (pKa)
14.86
Base Dissociation Constant (pKb)
0.40
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
55.00
S953-5006 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 S953-5006 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)