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VU0467154

CAT: 0931-T17244-07Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T17244-07Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1451993-15-9
Target
AChR
Related Pathways
Neuroscience
Purity
0.9953
Bioactivity
VU0467154 is a positive allosteric modulator of the M4 muscarinic acetylcholine receptor (M4 mAChR) .
Smiles
NC=1C=2C(SC1C(NCC3=CC=C(S(C(F)(F)F)(=O)=O)C=C3)=O)=NN=C(C)C2C
Molecular Formula
C17H15F3N4O3S2
Molecular Weight
444.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

VU0467154
CAS Number1451993-15-9
PubChem CID73774630
IUPAC Name5-amino-3,4-dimethyl-N-[[4-(trifluoromethylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide
Molecular FormulaC17H15F3N4O3S2
Molecular Weight444.5
XLogP3.4
Topological Polar Surface Area152
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity708
SMILES
CC1=C(N=NC2=C1C(=C(S2)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)C(F)(F)F)N)C
InChI
InChI=1S/C17H15F3N4O3S2/c1-8-9(2)23-24-16-12(8)13(21)14(28-16)15(25)22-7-10-3-5-11(6-4-10)29(26,27)17(18,19)20/h3-6H,7,21H2,1-2H3,(H,22,25)
InChIKey
UDSFKIFLJPECRN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of VU0467154
CAS: 1451993-15-9
CID: 73774630
Formula: C17H15F3N4O3S2
MW: 444.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight444.5
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass444.05376719
Monoisotopic Mass444.05376719
Topological Polar Surface Area152 Ų
Heavy Atom Count29
Formal Charge0
Complexity708
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

Alternative Products

CatalogName
MBS3844294-01VU0467154
A19842-10VU0467154 10mg
A19842-5VU0467154 5mg
A19842-50VU0467154 50mg
A19842-25VU0467154 25mg
A19842-2VU0467154 2mg
A19842-100VU0467154 100mg
A19842-10mM-DVU0467154 10mM * 1mL in DMSO

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