Products for Research Use Only
RegisterLogin

VU0409106

CAT: 0931-T29132-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T29132-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1276617-62-9
Target
Others, GluR
Related Pathways
Neuroscience, Others
Bioactivity
VU0409106 is a potent, mGlu5-selective inhibitor.
Smiles
O(C1=CC(C(NC=2SC=C(C)N2)=O)=CC(F)=C1)C=3C=NC=NC3
Molecular Formula
C15H11FN4O2S
Molecular Weight
330.34
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

VU-0409106

a metabotropic glutamate receptor 5 antagonist; structure in first source

CAS Number1276617-62-9
PubChem CID50990953
IUPAC Name3-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-5-pyrimidin-5-yloxybenzamide
Molecular FormulaC15H11FN4O2S
Molecular Weight330.3
XLogP2.4
Topological Polar Surface Area105
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity411
SMILES
CC1=CSC(=N1)NC(=O)C2=CC(=CC(=C2)F)OC3=CN=CN=C3
InChI
InChI=1S/C15H11FN4O2S/c1-9-7-23-15(19-9)20-14(21)10-2-11(16)4-12(3-10)22-13-5-17-8-18-6-13/h2-8H,1H3,(H,19,20,21)
InChIKey
AXVLPJHYYFHCHK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of VU-0409106
CAS: 1276617-62-9
CID: 50990953
Formula: C15H11FN4O2S
MW: 330.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.3
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass330.05867494
Monoisotopic Mass330.05867494
Topological Polar Surface Area105 Ų
Heavy Atom Count23
Formal Charge0
Complexity411
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
MBS5778790VU0409106

Popular Products