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MK 6096

CAT: 0607-A8953-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-A8953-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
OX1/OX2 receptor antagonist
CAS Number
1088991-73-4
Product Name Alternative
((2S,5S)-5-(((5-fluoropyridin-2-yl)oxy)methyl)-2-methylpiperidin-1-yl)(5-methyl-2-(pyrimidin-2-yl)phenyl)methanone
Purity
0.98
Solubility
Soluble in DMSO
Smiles
CC1=CC=C(C2=NC=CC=N2)C(C(N3C[C@@H](COC4=NC=C(F)C=C4)CC[C@@H]3C)=O)=C1
Molecular Formula
C24H25FN4O2
Molecular Weight
420.48
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Filorexant

Filorexant has been used in trials studying the prevention and treatment of Migraine, Headache, Polysomnography, Diabetic Neuropathy, Painful, and Major Depressive Disorder, Recurrent.

CAS Number1088991-73-4
PubChem CID25128145
IUPAC Name[(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone
Molecular FormulaC24H25FN4O2
Molecular Weight420.5
XLogP3.9
Topological Polar Surface Area68.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity588
SMILES
C[C@@H]1CC[C@H](CN1C(=O)C2=C(C=CC(=C2)C)C3=NC=CC=N3)COC4=NC=C(C=C4)F
InChI
InChI=1S/C24H25FN4O2/c1-16-4-8-20(23-26-10-3-11-27-23)21(12-16)24(30)29-14-18(6-5-17(29)2)15-31-22-9-7-19(25)13-28-22/h3-4,7-13,17-18H,5-6,14-15H2,1-2H3/t17-,18-/m1/s1
InChIKey
NPFDWHQSDBWQLH-QZTJIDSGSA-N
Chemical Structure
2D Structure
2D structure of Filorexant
CAS: 1088991-73-4
CID: 25128145
Formula: C24H25FN4O2
MW: 420.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight420.5
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass420.19615422
Monoisotopic Mass420.19615422
Topological Polar Surface Area68.2 Ų
Heavy Atom Count31
Formal Charge0
Complexity588
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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Alternative Products

CatalogName
T85806-01BAY-6096
MBS387655-01MK-6096 (Filorexant)
MBS130921-01MK-6096(Filorexant)
A13168-50MK-6096 (Filorexant) 50mg
A13168-10MK-6096 (Filorexant) 10mg
A13168-1MK-6096 (Filorexant) 1mg
A13168-25MK-6096 (Filorexant) 25mg
A13168-100MK-6096 (Filorexant) 100mg
A13168-5MK-6096 (Filorexant) 5mg
A13168-10mM-DMK-6096 (Filorexant) 10mM * 1mL in DMSO

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