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VU0410150

CAT: 0931-T29133-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T29133-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1296731-74-2
Target
Others
Related Pathways
Others
Bioactivity
VU0410150, a pyrrylarylsulfone containing compound, has been found to be a mGluR4-positive allosteric modulator and has been evaluated as a potential drug for the treatment of Parkinson's disease.
Smiles
S(=O)(=O)(N1C=C(NC(=O)C2=CC=CC=N2)C=C1)C3=CC(C)=C(C)C=C3
Molecular Formula
C18H17N3O3S
Molecular Weight
355.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(1-((3,4-dimethylphenyl)sulfonyl)-1H-pyrrol-3-yl)picolinamide

a positive allosteric modulator of metabotropic glutamate receptor 4; structure in first source

CAS Number1296731-74-2
PubChem CID52914664
IUPAC NameN-[1-(3,4-dimethylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
Molecular FormulaC18H17N3O3S
Molecular Weight355.4
XLogP2.7
Topological Polar Surface Area89.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity575
SMILES
CC1=C(C=C(C=C1)S(=O)(=O)N2C=CC(=C2)NC(=O)C3=CC=CC=N3)C
InChI
InChI=1S/C18H17N3O3S/c1-13-6-7-16(11-14(13)2)25(23,24)21-10-8-15(12-21)20-18(22)17-5-3-4-9-19-17/h3-12H,1-2H3,(H,20,22)
InChIKey
LIVAPIWBIQYQLE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(1-((3,4-dimethylphenyl)sulfonyl)-1H-pyrrol-3-yl)picolinamide
CAS: 1296731-74-2
CID: 52914664
Formula: C18H17N3O3S
MW: 355.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight355.4
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass355.09906259
Monoisotopic Mass355.09906259
Topological Polar Surface Area89.4 Ų
Heavy Atom Count25
Formal Charge0
Complexity575
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
MBS5778791VU0410150

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