Products for Research Use Only
RegisterLogin

Decoglurant

CAT: 0931-T15090-04Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T15090-04Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
911115-16-7
Target
GluR
Related Pathways
Neuroscience
Purity
0.9977
Bioactivity
Decoglurant (RO4995819) is a negative allosteric modulator of mGluR2 and mGluR3, developed as an antidepressant.
Smiles
Nc1ccc(cn1)C#Cc1cnn2c(cc(nc12)-c1ccc(cc1)C(F)(F)F)C(F)(F)F
Molecular Formula
C21H11F6N5
Molecular Weight
447.34
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Decoglurant

Decoglurant has been used in trials studying the treatment of Major Depressive Disorder.

CAS Number911115-16-7
PubChem CID71533696
IUPAC Name5-[2-[7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]pyridin-2-amine
Molecular FormulaC21H11F6N5
Molecular Weight447.3
XLogP4.4
Topological Polar Surface Area69.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Heavy Atom Count32
Formal Charge0
Complexity720
SMILES
C1=CC(=CC=C1C2=NC3=C(C=NN3C(=C2)C(F)(F)F)C#CC4=CN=C(C=C4)N)C(F)(F)F
InChI
InChI=1S/C21H11F6N5/c22-20(23,24)15-6-4-13(5-7-15)16-9-17(21(25,26)27)32-19(31-16)14(11-30-32)3-1-12-2-8-18(28)29-10-12/h2,4-11H,(H2,28,29)
InChIKey
DMJHZVARRXJSEG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Decoglurant
CAS: 911115-16-7
CID: 71533696
Formula: C21H11F6N5
MW: 447.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight447.3
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Exact Mass447.09186434
Monoisotopic Mass447.09186434
Topological Polar Surface Area69.1 Ų
Heavy Atom Count32
Formal Charge0
Complexity720
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
HY-16766-01Decoglurant
MBS3611737-01Decoglurant(RO4995819)
GTR19157066-01Decoglurant (RO4995819)

Popular Products