N-((4-(4-Phenylthiazol-2-yl)tetrahydro-2H-pyran-4-yl)methyl)-3-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzamide

Base Information

• Chemical Name: N-((4-(4-Phenylthiazol-2-yl)tetrahydro-2H-pyran-4-yl)methyl)-3-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzamide
• CAS No.: 1314890-29-3
• Molecular Formula: C25H21F3N4O3S
• Molecular Weight: 514.5194496
• European Community (EC) Number: 828-154-1
• Nikkaji Number: J3.317.440C
• Wikidata: Q27089003
• Pharos Ligand ID: AM9YR3D72GUH
• ChEMBL ID: CHEMBL3110004
• Mol file: 1314890-29-3.mol

Synonyms:TMP269;1314890-29-3;N-((4-(4-Phenylthiazol-2-yl)tetrahydro-2H-pyran-4-yl)methyl)-3-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzamide;TMP-269;TMP 269;TMFO1;N-{[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl}-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide;CHEMBL3110004;compound 1 [PMID: 23524983];N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide;N-{[4-(4-Phenyl-1,3-Thiazol-2-Yl)tetrahydro-2h-Pyran-4-Yl]methyl}-3-[5-(Trifluoromethyl)-1,2,4-Oxadiazol-3-Yl]benzamide;C25H21F3N4O3S;D0R7JA;GTPL7491;SCHEMBL6976560;EX-A452;HMS3653K12;HMS3744M05;KUC113561N;BCP09993;BDBM50446481;MFCD26522023;s7324;AKOS025405229;CCG-269806;SB19283;NCGC00378626-06;AC-33029;AS-75052;BenzaMide, N-[[tetrahydro-4-(4-phenyl-2-thiazolyl)-2H-pyran-4-yl]Methyl]-3-[5-(trifluoroMethyl)-1,2,4-oxadiazol-3-yl]-;HY-18360;KSC-361-56-1;FT-0700163;SW219449-1;A14128;EN300-203964;A888455;J-690126;Q27089003;Z1982689601;N-[[4-(4-phenylthiazol-2-yl)tetrahydropyran-4-yl]methyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide;N-[4-(4-Phenyl-2-thiazolyl)-tetrahydro-2H-pyran-4-ylmethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazole-3-yl]benzamide;N-{[4-(4-phenyl-1,3-thiazol-2-yl)tetrahydro-2h-pyran-4-yl]methyl} -3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

Chemical Property of N-((4-(4-Phenylthiazol-2-yl)tetrahydro-2H-pyran-4-yl)methyl)-3-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzamide

Chemical Property:

• Appearance/Colour: White to off-white solid
• PKA: 13.66±0.46(Predicted)
• PSA: 121.87000
• Density: 1.347±0.06 g/cm3(Predicted)
• LogP: 5.93190
• Storage Temp.: Amber Vial, -20°C Freezer, Under inert atmosphere
• Solubility.: ≥23 mg/mL in DMSO; insoluble in H2O; ≥21 mg/mL in EtOH with ultrasonic
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 514.12864620
• Heavy Atom Count: 36
• Complexity: 749

Purity/Quality:

99% ^*data from raw suppliers

TMP269 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCC1(CNC(=O)C2=CC=CC(=C2)C3=NOC(=N3)C(F)(F)F)C4=NC(=CS4)C5=CC=CC=C5
• Uses: TMP269 is a selective class IIa histone deacetylase (HDAC) inhibitor via a non chelating zinc-binding group.