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ML-184

CAT: 1410-M22218-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1410-M22218-04Size:25 mg
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Description
ML-184 is a potent synthetic agonist of GPR55 with EC50 of 0.26 µM.
CAS Number
794572-10-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
470.63
Molecular Formula
C25H34N4O3S
Notes
Research use only, not for human use.
Receptor
GPR55

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...
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