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R-7050

CAT: 0607-C3129-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-C3129-5Size:5 mg
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Description
TNF-α receptor signaling antagonist,cell-permeable
CAS Number
303997-35-5
Product Name Alternative
8-chloro-4-(phenylthio)-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline
Sequence
TNF-α Antagonist III
Field of Research
Apoptosis TNF-α
Purity
0.9973
Form
A crystalline solid
Solubility
insoluble in H2O; ≥17.67 mg/mL in DMSO; ≥2.2 mg/mL in EtOH with gentle warming and ultrasonic
Smiles
ClC1=CC(N2C3=NN=C2C(F)(F)F)=C(C=C1)N=C3SC4=CC=CC=C4
Molecular Formula
C16H8ClF3N4S
Molecular Weight
380.8
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

8-Chloro-4-phenylsulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline
CAS Number303997-35-5
PubChem CID1486608
IUPAC Name8-chloro-4-phenylsulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline
Molecular FormulaC16H8ClF3N4S
Molecular Weight380.8
XLogP5.5
Topological Polar Surface Area68.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity477
SMILES
C1=CC=C(C=C1)SC2=NC3=C(C=C(C=C3)Cl)N4C2=NN=C4C(F)(F)F
InChI
InChI=1S/C16H8ClF3N4S/c17-9-6-7-11-12(8-9)24-13(22-23-15(24)16(18,19)20)14(21-11)25-10-4-2-1-3-5-10/h1-8H
InChIKey
SUUMKHOVGVYGOP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-Chloro-4-phenylsulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline
CAS: 303997-35-5
CID: 1486608
Formula: C16H8ClF3N4S
MW: 380.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.8
XLogP35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass380.0110296
Monoisotopic Mass380.0110296
Topological Polar Surface Area68.4 Ų
Heavy Atom Count25
Formal Charge0
Complexity477
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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