JTK-853
(2R)-4-(5-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-N-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-2-carboxamide
Molecular Identity
JTK-853
(2R)-4-(5-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-N-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-2-carboxamide
PubChem CID: 57519700
2D Structure
Properties
C28H23F7N6O4S2
Molecular Formula
704.60
Molecular Weight
g/mol
704.1110
Exact Mass
Da
5.7
XLogP
Above Lipinski threshold
154
TPSA
May have limited oral absorption
1
H-Bond Donors
17
H-Bond Acceptors
1220
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
JTK-853954389-09-4WDX8QQD13B2-Piperazinecarboxamide, 4-(5-cyclopropylthiazolo(4,5-d)pyrimidin-2-yl)-n-((3-fluoro-4-(trifluoromethoxy)phenyl)methyl)-1-((4-(trifluoromethyl)phenyl)sulfonyl)-, (2R)-DTXSID60241836RefChem:150586DTXCID90164327(2R)-4-(5-cyclopropyl-(1,3)thiazolo(4,5-d)pyrimidin-2-yl)-N-((3-fluoro-4-(trifluoromethoxy)phenyl)methyl)-1-(4-(trifluoromethyl)benzenesulfonyl)piperazine-2-carboxamideUNII-WDX8QQD13BJTK 853(2R)-4-(5-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-N-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-2-carboxamide(2r)-4-(5-Cyclopropyl[1,3]thiazolo[4,5-D]pyrimidin-2-Yl)-N-[3-Fluoro-4-(Trifluoromethoxy)benzyl]-1-{[4-(Trifluoromethyl)phenyl]sulfonyl}piperazine-2-Carboxamide3vqsorb1707152SCHEMBL2440999
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to JTK-853
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