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CL 218872

CAT: 0013-GTR19157727-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19157727-01Size:200 mg
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Description
CL 218872 is a benzodiazepine agonist displaying selectivity for α1 subunit-containing GABAA receptors (Ki values are 130, 1820, 1530, > 10000, 490 and > 10000 nM for α1, α2, α3, α4, α5 and α6-subunit containing receptors respectively) . Orally active anxiolytic and anticonvulsant in vivo.
CAS Number
66548-69-4
Purity
>98% (HPLC)
Solubility
DMSO:13.9 mg/mL (50 mM; Need ultrasonic)
Smiles
Cc1nnc2ccc (nn12) -c1cccc (c1) C (F) (F) F
Molecular Formula
C13H9F3N4
Molecular Weight
278.23
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

3-Methyl-6-(3-(trifluoromethyl)phenyl)-1,2,4-triazolo(4,3-b)pyridazine

3-methyl-6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine is a ring assembly and a member of pyridazines.

CAS Number66548-69-4
PubChem CID107950
IUPAC Name3-methyl-6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
Molecular FormulaC13H9F3N4
Molecular Weight278.23
XLogP2.7
Topological Polar Surface Area43.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity349
SMILES
CC1=NN=C2N1N=C(C=C2)C3=CC(=CC=C3)C(F)(F)F
InChI
InChI=1S/C13H9F3N4/c1-8-17-18-12-6-5-11(19-20(8)12)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3
InChIKey
GUOQUXNJZHGPQF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methyl-6-(3-(trifluoromethyl)phenyl)-1,2,4-triazolo(4,3-b)pyridazine
CAS: 66548-69-4
CID: 107950
Formula: C13H9F3N4
MW: 278.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight278.23
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass278.07793079
Monoisotopic Mass278.07793079
Topological Polar Surface Area43.1 Ų
Heavy Atom Count20
Formal Charge0
Complexity349
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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