S951-0261 Screening compound: 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(4-ethylphenyl)-N-methyltetrahydro-1,3(2H)-pyrazinedicarboxamide
Chemical Structure Depiction of ChemDiv screening compound S951-0261
4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(4-ethylphenyl)-N-methyltetrahydro-1,3(2H)-pyrazinedicarboxamide
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
S951-0261
Molecular Formula
C23H24F3N5O2 (C23 H24 F3 N5 O2)
Compound Name
4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(4-ethylphenyl)-N-methyltetrahydro-1,3(2H)-pyrazinedicarboxamide
IUPAC name
4-[4-cyano-3-(trifluoromethyl)phenyl]-N1-(4-ethylphenyl)-N3-methylpiperazine-13-dicarboxamide
SMILES
CCc(cc1)ccc1NC(N(CC1)CC(C(NC)=O)N1c(cc1)cc(C(F)(F)F)c1C#N)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
459.47
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
3.428
Distribution Coefficient, logD
3.428
Water Solubility, LogSw
-3.71
Polar Surface Area
70.487
Acid Dissociation Constant (pKa)
13.81
Base Dissociation Constant (pKb)
1.64
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
34.78
S951-0261 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 S951-0261 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)