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SPHINX

CAT: 0931-T8574-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T8574-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
848057-98-7
Target
Others, Serine/threonin kinase
Related Pathways
Others, Metabolism, Cell Cycle/Checkpoint
Purity
0.9998
Bioactivity
SPHINX is a new generation inhibitor of SPRK1
Smiles
Cc1ccc(o1)C(=O)Nc1cc(ccc1N1CCOCC1)C(F)(F)F
Molecular Formula
C17H17F3N2O3
Molecular Weight
354.32
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-methyl-N-[2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CAS Number848057-98-7
PubChem CID4799939
IUPAC Name5-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
Molecular FormulaC17H17F3N2O3
Molecular Weight354.32
XLogP3.2
Topological Polar Surface Area54.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity469
SMILES
CC1=CC=C(O1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3
InChI
InChI=1S/C17H17F3N2O3/c1-11-2-5-15(25-11)16(23)21-13-10-12(17(18,19)20)3-4-14(13)22-6-8-24-9-7-22/h2-5,10H,6-9H2,1H3,(H,21,23)
InChIKey
FZCPNRVICXFZJR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-methyl-N-[2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CAS: 848057-98-7
CID: 4799939
Formula: C17H17F3N2O3
MW: 354.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.32
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass354.11912689
Monoisotopic Mass354.11912689
Topological Polar Surface Area54.7 Ų
Heavy Atom Count25
Formal Charge0
Complexity469
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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