S957-0150 Screening compound: 4-{4-(hydroxymethyl)-2-[(3-methyl-1H-pyrazol-5-yl)carbonyl]-2,8-diazaspiro[4.5]dec-8-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of ChemDiv screening compound S957-0150
4-{4-(hydroxymethyl)-2-[(3-methyl-1H-pyrazol-5-yl)carbonyl]-2,8-diazaspiro[4.5]dec-8-yl}-2-(trifluoromethyl)benzonitrile
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
S957-0150
Molecular Formula
C22H24F3N5O2 (C22 H24 F3 N5 O2)
Compound Name
4-{4-(hydroxymethyl)-2-[(3-methyl-1H-pyrazol-5-yl)carbonyl]-2,8-diazaspiro[4.5]dec-8-yl}-2-(trifluoromethyl)benzonitrile
IUPAC name
4-[4-(hydroxymethyl)-2-(3-methyl-1H-pyrazole-5-carbonyl)-28-diazaspiro[4.5]decan-8-yl]-2-(trifluoromethyl)benzonitrile
SMILES
Cc1n[nH]c(C(N2CC(CC3)(CCN3c(cc3)cc(C(F)(F)F)c3C#N)C(CO)C2)=O)c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
447.46
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
2.117
Distribution Coefficient, logD
2.117
Water Solubility, LogSw
-3.00
Polar Surface Area
77.040
Acid Dissociation Constant (pKa)
8.68
Base Dissociation Constant (pKb)
2.63
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
50.00
S957-0150 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)
Included in 1.7M Stock Database
- Cancer
- Male
- Skin
- Endocrine
- Nuclear receptors
- Receptor's ligands
- PPI modulators
- PPI modulators
- Mimetics
References: we are preparing a list of scientific research reports with S957-0150 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)