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LRRK2-IN-16

CAT: 0931-T204380-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T204380-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
852375-30-5
Target
LRRK2
Related Pathways
Autophagy
Bioactivity
LRRK2-IN-16 (compound 25) is an inhibitor of the LRRK2 kinase with an IC50 value of less than 5 μM. It is applicable for research in neurodegenerative and autoimmune diseases.
Smiles
O=C(N1CCCC1)CSC2=NN3C(=NN=C3C=4C=CC(=CC4)C)C=C2
Molecular Formula
C18H19N5OS
Molecular Weight
353.441
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-(Pyrrolidin-1-yl)-2-((3-(p-tolyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)ethanone
CAS Number852375-30-5
PubChem CID7118087
IUPAC Name2-[[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1-pyrrolidin-1-ylethanone
Molecular FormulaC18H19N5OS
Molecular Weight353.4
XLogP2.6
Topological Polar Surface Area88.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity464
SMILES
CC1=CC=C(C=C1)C2=NN=C3N2N=C(C=C3)SCC(=O)N4CCCC4
InChI
InChI=1S/C18H19N5OS/c1-13-4-6-14(7-5-13)18-20-19-15-8-9-16(21-23(15)18)25-12-17(24)22-10-2-3-11-22/h4-9H,2-3,10-12H2,1H3
InChIKey
DZOKYYJDZNGNCE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(Pyrrolidin-1-yl)-2-((3-(p-tolyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)ethanone
CAS: 852375-30-5
CID: 7118087
Formula: C18H19N5OS
MW: 353.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight353.4
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass353.13103142
Monoisotopic Mass353.13103142
Topological Polar Surface Area88.7 Ų
Heavy Atom Count25
Formal Charge0
Complexity464
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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