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MRK 016

CAT: 0607-B5482-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B5482-50Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
GABAA receptor inverse agonist
CAS Number
783331-24-8
Product Name Alternative
3-(9-(tert-butyl)-8-((1-methyl-1H-1,2,4-triazol-5-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazin-2-yl)-5-methylisoxazole
Field of Research
Membrane Transporter Ion Channel GABA Receptor
Purity
0.98
Form
White solid
Solubility
<36.84mg/ml in DMSO;insoluble in ethanol
Smiles
CC(C)(C)C1=C2N(C(C3=NOC(C)=C3)=NN=C2)N=C1OCC4=NC=NN4C
Molecular Formula
C17H20N8O2
Molecular Weight
368.39
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

3-tert-butyl-7-(5-methylisoxazol-3-yl)-2-(1-methyl-1H-1,2,4-triazol-5-ylmethoxy)pyrazolo(1,5-d)(1,2,4)triazine
CAS Number783331-24-8
PubChem CID6918583
IUPAC Name3-[3-tert-butyl-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazin-7-yl]-5-methyl-1,2-oxazole
Molecular FormulaC17H20N8O2
Molecular Weight368.4
XLogP1.5
Topological Polar Surface Area109
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity518
SMILES
CC1=CC(=NO1)C2=NN=CC3=C(C(=NN32)OCC4=NC=NN4C)C(C)(C)C
InChI
InChI=1S/C17H20N8O2/c1-10-6-11(23-27-10)15-21-19-7-12-14(17(2,3)4)16(22-25(12)15)26-8-13-18-9-20-24(13)5/h6-7,9H,8H2,1-5H3
InChIKey
QYSYOGCIDRANAR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-tert-butyl-7-(5-methylisoxazol-3-yl)-2-(1-methyl-1H-1,2,4-triazol-5-ylmethoxy)pyrazolo(1,5-d)(1,2,4)triazine
CAS: 783331-24-8
CID: 6918583
Formula: C17H20N8O2
MW: 368.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight368.4
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass368.17092191
Monoisotopic Mass368.17092191
Topological Polar Surface Area109 Ų
Heavy Atom Count27
Formal Charge0
Complexity518
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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