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MK-8768

CAT: 0931-T79302-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T79302-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1432729-22-0
Target
Others, GluR
Related Pathways
Others, Neuroscience
Bioactivity
MK-8768 is a potent, selective, and orally bioavailable negative allosteric modulator of the mGluR2 class, exhibiting an IC50 of 9.6 nM and characterized by excellent brain permeability.
Smiles
C(N)(=O)C=1C=C(C2=C(C=C(CN3C[C@H](C(F)(F)F)O[C@H](C)C3)C=C2)N1)C4=CN(C)N=C4
Molecular Formula
C21H22F3N5O2
Molecular Weight
433.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Wgy5L2V9GM
CAS Number1432729-22-0
PubChem CID89545222
IUPAC Name4-(1-methylpyrazol-4-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
Molecular FormulaC21H22F3N5O2
Molecular Weight433.4
XLogP2.4
Topological Polar Surface Area86.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity651
SMILES
C[C@@H]1CN(C[C@@H](O1)C(F)(F)F)CC2=CC3=C(C=C2)C(=CC(=N3)C(=O)N)C4=CN(N=C4)C
InChI
InChI=1S/C21H22F3N5O2/c1-12-8-29(11-19(31-12)21(22,23)24)9-13-3-4-15-16(14-7-26-28(2)10-14)6-18(20(25)30)27-17(15)5-13/h3-7,10,12,19H,8-9,11H2,1-2H3,(H2,25,30)/t12-,19-/m1/s1
InChIKey
KTYWQIWONODXST-CWTRNNRKSA-N
Chemical Structure
2D Structure
2D structure of Wgy5L2V9GM
CAS: 1432729-22-0
CID: 89545222
Formula: C21H22F3N5O2
MW: 433.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight433.4
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass433.17255945
Monoisotopic Mass433.17255945
Topological Polar Surface Area86.3 Ų
Heavy Atom Count31
Formal Charge0
Complexity651
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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