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ML-184

CAT: 0013-GTR19165529-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19165529-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ML-184 (CID2440433) is a potent and selective synthetic agonist for the GPR55 receptor, exhibiting an EC50 of 0.26 μM. This tool compound is valuable for investigating the receptor's role in physiological and pathological processes, including pain, inflammation, and metabolism, in both cellular and animal model studies.
CAS Number
794572-10-4
Product Name Alternative
CID-2440433, CID2440433, CID 2440433, CannabinoidReceptor, Cannabinoid Receptor, G protein-coupled receptor 55, GPR55, Inhibitor, inhibit, ML 184, ML184, ML-184
Field of Research
Pharmacology & Drug Discovery
Purity
99.45% (May vary between batches)
Solubility
DMSO:10 mg/mL (21.25 mM)
Smiles
CN (C) S (=O) (=O) c1ccc (N2CCCC2) c (c1) C (=O) N1CCN (CC1) c1cccc (C) c1C
Molecular Formula
C25H34N4O3S
Molecular Weight
470.63
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N,N-dimethyl-4-(pyrrolidin-1-yl)benzene-1-sulfonamide

3-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]-N,N-dimethyl-4-(1-pyrrolidinyl)benzenesulfonamide is a member of piperazines.

CAS Number794572-10-4
PubChem CID2440433
IUPAC Name3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N,N-dimethyl-4-pyrrolidin-1-ylbenzenesulfonamide
Molecular FormulaC25H34N4O3S
Molecular Weight470.6
XLogP3.5
Topological Polar Surface Area72.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity769
SMILES
CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N(C)C)N4CCCC4)C
InChI
InChI=1S/C25H34N4O3S/c1-19-8-7-9-23(20(19)2)28-14-16-29(17-15-28)25(30)22-18-21(33(31,32)26(3)4)10-11-24(22)27-12-5-6-13-27/h7-11,18H,5-6,12-17H2,1-4H3
InChIKey
VRSJAHQGJHDACS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N,N-dimethyl-4-(pyrrolidin-1-yl)benzene-1-sulfonamide
CAS: 794572-10-4
CID: 2440433
Formula: C25H34N4O3S
MW: 470.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight470.6
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass470.23516213
Monoisotopic Mass470.23516213
Topological Polar Surface Area72.6 Ų
Heavy Atom Count33
Formal Charge0
Complexity769
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

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