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MK 0343

CAT: 0607-B5585-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B5585-50Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
GABAA partial agonist
CAS Number
233275-76-8
Product Name Alternative
7-cyclobutyl-3-(2,6-difluorophenyl)-6-((1-methyl-1H-1,2,4-triazol-5-yl)methoxy)-[1,2,4]triazolo[4,3-b]pyridazine
Field of Research
Membrane Transporter Ion Channel GABA Receptor
Form
White solid
Solubility
<39.74mg/ml in DMSO; <19.87mg/ml in ethanol
Smiles
CN1C(COC2=NN3C(C=C2C4CCC4)=NN=C3C5=C(F)C=CC=C5F)=NC=N1
Molecular Formula
C19H17F2N7O
Molecular Weight
397.38
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Mrk-409

MRK-409 is a GABA-A receptor agonist.

CAS Number233275-76-8
PubChem CID22609888
IUPAC Name7-cyclobutyl-3-(2,6-difluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine
Molecular FormulaC19H17F2N7O
Molecular Weight397.4
XLogP3
Topological Polar Surface Area83
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity561
SMILES
CN1C(=NC=N1)COC2=NN3C(=NN=C3C4=C(C=CC=C4F)F)C=C2C5CCC5
InChI
InChI=1S/C19H17F2N7O/c1-27-16(22-10-23-27)9-29-19-12(11-4-2-5-11)8-15-24-25-18(28(15)26-19)17-13(20)6-3-7-14(17)21/h3,6-8,10-11H,2,4-5,9H2,1H3
InChIKey
GOIFCXRIFSYPFG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mrk-409
CAS: 233275-76-8
CID: 22609888
Formula: C19H17F2N7O
MW: 397.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight397.4
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass397.14626452
Monoisotopic Mass397.14626452
Topological Polar Surface Area83 Ų
Heavy Atom Count29
Formal Charge0
Complexity561
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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