S951-5133 Screening compound: 4-[4-cyano-3-(trifluoromethyl)phenyl]-1-[(1-ethyl-1H-pyrazol-5-yl)carbonyl]-2-piperazinecarboxamide
Chemical Structure Depiction of ChemDiv screening compound S951-5133
4-[4-cyano-3-(trifluoromethyl)phenyl]-1-[(1-ethyl-1H-pyrazol-5-yl)carbonyl]-2-piperazinecarboxamide
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
S951-5133
Molecular Formula
C19H19F3N6O2 (C19 H19 F3 N6 O2)
Compound Name
4-[4-cyano-3-(trifluoromethyl)phenyl]-1-[(1-ethyl-1H-pyrazol-5-yl)carbonyl]-2-piperazinecarboxamide
IUPAC name
4-[4-cyano-3-(trifluoromethyl)phenyl]-1-(1-ethyl-1H-pyrazole-5-carbonyl)piperazine-2-carboxamide
SMILES
CCn1nccc1C(N(CCN(C1)c(cc2)cc(C(F)(F)F)c2C#N)C1C(N)=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
420.39
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
0.827
Distribution Coefficient, logD
0.827
Water Solubility, LogSw
-2.15
Polar Surface Area
83.979
Acid Dissociation Constant (pKa)
14.80
Base Dissociation Constant (pKb)
1.36
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
36.84
S951-5133 in Drug Discovery
Included in Screening Libraries
Androgen Receptor Antagonists Library (4240 compounds)
Included in 1.7M Stock Database
- Cancer
- Male
- Skin
- Endocrine
- Nuclear receptors
- Receptor's ligands
References: we are preparing a list of scientific research reports with S951-5133 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)