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RO8191

CAT: 0931-T22142-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T22142-04Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
691868-88-9
Target
STAT, JAK, HCV Protease, HBV, IFNAR
Related Pathways
JAK/STAT signaling, Tyrosine Kinase/Adaptors, Microbiology/Virology, Proteases/Proteasome, Immunology/Inflammation, Angiogenesis, Stem Cells, Chromatin/Epigenetic
Purity
0.9885
Bioactivity
RO8191 (CDM-3008) (CDM-3008) is an agonist of interferon (IFN) receptor.
Smiles
FC(F)(F)C1=CC(=C2C=CC3=NC(=CN3C2=N1)C1=NN=CO1)C(F)(F)F
Molecular Formula
C14H5F6N5O
Molecular Weight
373.21
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-(2,4-Bis(trifluoromethyl)imidazo(1,2-a)(1,8)naphthyridin-8-yl)-1,3,4-oxadiazole
CAS Number691868-88-9
PubChem CID2768133
IUPAC Name2-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole
Molecular FormulaC14H5F6N5O
Molecular Weight373.21
XLogP3.7
Topological Polar Surface Area69.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count1
Heavy Atom Count26
Formal Charge0
Complexity531
SMILES
C1=CC2=NC(=CN2C3=C1C(=CC(=N3)C(F)(F)F)C(F)(F)F)C4=NN=CO4
InChI
InChI=1S/C14H5F6N5O/c15-13(16,17)7-3-9(14(18,19)20)23-11-6(7)1-2-10-22-8(4-25(10)11)12-24-21-5-26-12/h1-5H
InChIKey
GRHYZVJEXKTJOS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2,4-Bis(trifluoromethyl)imidazo(1,2-a)(1,8)naphthyridin-8-yl)-1,3,4-oxadiazole
CAS: 691868-88-9
CID: 2768133
Formula: C14H5F6N5O
MW: 373.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight373.21
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count1
Exact Mass373.03982877
Monoisotopic Mass373.03982877
Topological Polar Surface Area69.1 Ų
Heavy Atom Count26
Formal Charge0
Complexity531
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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