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Ro0711401

CAT: 0931-T9021-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T9021-07Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
714971-87-6
Target
GluR
Related Pathways
Neuroscience
Purity
0.9854
Bioactivity
Ro0711401 is an agonist of mGlu1 receptor.
Smiles
FC(F)(F)c1coc(NC(=O)C2c3ccccc3Oc3ccccc23)n1
Molecular Formula
C18H11F3N2O3
Molecular Weight
360.29
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ro0711401
CAS Number714971-87-6
PubChem CID10338547
IUPAC NameN-[4-(trifluoromethyl)-1,3-oxazol-2-yl]-9H-xanthene-9-carboxamide
Molecular FormulaC18H11F3N2O3
Molecular Weight360.3
XLogP3.7
Topological Polar Surface Area64.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity508
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)NC4=NC(=CO4)C(F)(F)F
InChI
InChI=1S/C18H11F3N2O3/c19-18(20,21)14-9-25-17(22-14)23-16(24)15-10-5-1-3-7-12(10)26-13-8-4-2-6-11(13)15/h1-9,15H,(H,22,23,24)
InChIKey
GSGDLBUOSWGZER-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ro0711401
CAS: 714971-87-6
CID: 10338547
Formula: C18H11F3N2O3
MW: 360.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight360.3
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass360.07217670
Monoisotopic Mass360.07217670
Topological Polar Surface Area64.4 Ų
Heavy Atom Count26
Formal Charge0
Complexity508
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
BA5561-10RO0711401
A22511-100Ro0711401 100mg
A22511-50Ro0711401 50mg
A22511-25Ro0711401 25mg
A22511-10Ro0711401 10mg
A22511-5Ro0711401 5mg
A22511-2Ro0711401 2mg
A22511-10mM-DRo0711401 10mM * 1mL in DMSO

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