Products for Research Use Only

VU0467485

CAT: 0013-GTR19202929-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202929-06Size:50 mg
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Description
VU0467485 is a potent and selective positive allosteric modulator of the muscarinic M4 receptor, enhancing acetylcholine activity with species-specific EC50 values. Its selectivity profile over other muscarinic subtypes supports its utility in neuroscience research, particularly for investigating M4's role in CNS disorders in both in vitro and in vivo models.
CAS Number
1451994-10-7
Field of Research
Neuroscience
Purity
99.71% (May vary between batches)
Smiles
O=C (NCC1=CC=C (OC) C (F) =C1) C=2SC3=NN=C (C (=C3C2N) C) C
Molecular Formula
C17H17FN4O2S
Molecular Weight
360.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-Amino-N-(3-fluoro-4-methoxybenzyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CAS Number1451994-10-7
PubChem CID89777239
IUPAC Name5-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
Molecular FormulaC17H17FN4O2S
Molecular Weight360.4
XLogP3
Topological Polar Surface Area118
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity486
SMILES
CC1=C(N=NC2=C1C(=C(S2)C(=O)NCC3=CC(=C(C=C3)OC)F)N)C
InChI
InChI=1S/C17H17FN4O2S/c1-8-9(2)21-22-17-13(8)14(19)15(25-17)16(23)20-7-10-4-5-12(24-3)11(18)6-10/h4-6H,7,19H2,1-3H3,(H,20,23)
InChIKey
VFNHDIWHQGVWLL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Amino-N-(3-fluoro-4-methoxybenzyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CAS: 1451994-10-7
CID: 89777239
Formula: C17H17FN4O2S
MW: 360.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight360.4
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass360.10562513
Monoisotopic Mass360.10562513
Topological Polar Surface Area118 Ų
Heavy Atom Count25
Formal Charge0
Complexity486
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