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ML 154

CAT: 0931-T22994-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T22994-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1345964-89-7
Target
Neuropeptide Y Receptor
Related Pathways
GPCR/G Protein, Neuroscience
Purity
0.9953
Bioactivity
ML 154 is a potent neuropeptide S receptor (NPSR) antagonist.
Smiles
CC1=C(P(C2=CC=CC=C2)(C3=CC=CC=C3)=S)[N+]4=CC=CC=C4N1C/C([H])=C([H])/C5=CC=CC=C5.[Br-]
Molecular Formula
C29H26BrN2PS
Molecular Weight
545.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-(Diphenylphosphinothioyl)-2-methyl-1-[(2E)-3-phenyl-2-propen-1-yl]imidazo[1,2-a]pyridiniumbromide
CAS Number1345964-89-7
PubChem CID46930969
IUPAC Name[2-methyl-1-[(E)-3-phenylprop-2-enyl]imidazo[1,2-a]pyridin-4-ium-3-yl]-diphenyl-sulfanylidene-lambda5-phosphane bromide
Molecular FormulaC29H26BrN2PS
Molecular Weight545.5
Topological Polar Surface Area41.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity668
SMILES
CC1=C([N+]2=CC=CC=C2N1C/C=C/C3=CC=CC=C3)P(=S)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]
InChI
InChI=1S/C29H26N2PS.BrH/c1-24-29(32(33,26-17-7-3-8-18-26)27-19-9-4-10-20-27)31-22-12-11-21-28(31)30(24)23-13-16-25-14-5-2-6-15-25;/h2-22H,23H2,1H3;1H/q+1;/p-1/b16-13+;
InChIKey
CJAQCMBWGUOBIX-ZUQRMPMESA-M
Chemical Structure
2D Structure
2D structure of 3-(Diphenylphosphinothioyl)-2-methyl-1-[(2E)-3-phenyl-2-propen-1-yl]imidazo[1,2-a]pyridiniumbromide
CAS: 1345964-89-7
CID: 46930969
Formula: C29H26BrN2PS
MW: 545.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight545.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass544.07377
Monoisotopic Mass544.07377
Topological Polar Surface Area41.1 Ų
Heavy Atom Count34
Formal Charge0
Complexity668
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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