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S-99

CAT: 0931-T22418-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T22418-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1124381-69-6
Target
Others, MAPK, Apoptosis, ASK
Related Pathways
MAPK, Apoptosis, Others
Purity
0.9984
Bioactivity
S-99 is a high purity chemical that targets ASK and is important for Immunology, Inflammation, Cancer research.
Smiles
CC(C)Nc1cc(cc2nc(NC(=O)c3cccnc3)nn12)C(F)(F)F
Molecular Formula
C16H15F3N6O
Molecular Weight
364.33
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-[5-(isopropylamino)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyridin-2-yl]nicotinamide
CAS Number1124381-69-6
PubChem CID59437537
IUPAC NameN-[5-(propan-2-ylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide
Molecular FormulaC16H15F3N6O
Molecular Weight364.32
XLogP2.8
Topological Polar Surface Area84.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity503
SMILES
CC(C)NC1=CC(=CC2=NC(=NN12)NC(=O)C3=CN=CC=C3)C(F)(F)F
InChI
InChI=1S/C16H15F3N6O/c1-9(2)21-12-6-11(16(17,18)19)7-13-22-15(24-25(12)13)23-14(26)10-4-3-5-20-8-10/h3-9,21H,1-2H3,(H,23,24,26)
InChIKey
BDAJJFZKNIYDOL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[5-(isopropylamino)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyridin-2-yl]nicotinamide
CAS: 1124381-69-6
CID: 59437537
Formula: C16H15F3N6O
MW: 364.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight364.32
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass364.12594361
Monoisotopic Mass364.12594361
Topological Polar Surface Area84.2 Ų
Heavy Atom Count26
Formal Charge0
Complexity503
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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