Products for Research Use Only

ML-193

CAT: 0013-GTR19172893-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19172893-01Size:100 mg
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Description
ML-193
CAS Number
713121-80-3
Product Name Alternative
CannabinoidReceptor, Cannabinoid Receptor, CID 1261822, CID1261822, CID-1261822, deficits, disease, ML193, ML-193, ML 193, Parkinson, motor, inhibit, Inhibitor, GPR55, G protein-coupled receptor 55, sensorimotor
Field of Research
Pharmacology & Drug Discovery
Purity
97.74% (May vary between batches)
Solubility
DMSO:60 mg/mL (113.72 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (3.79 mM)
Smiles
Cc1noc (NS (=O) (=O) c2ccc (NC (=O) c3cc (nc4c (C) cc (C) cc34) -c3ccccn3) cc2) c1C
Molecular Formula
C28H25N5O4S
Molecular Weight
527.59
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

ML193

N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-6,8-dimethyl-2-(2-pyridinyl)-4-quinolinecarboxamide is an aromatic amide.

CAS Number713121-80-3
PubChem CID1261822
IUPAC NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxamide
Molecular FormulaC28H25N5O4S
Molecular Weight527.6
XLogP4.5
Topological Polar Surface Area135
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count38
Formal Charge0
Complexity921
SMILES
CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=CC=N3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=C(C(=NO5)C)C)C
InChI
InChI=1S/C28H25N5O4S/c1-16-13-17(2)26-22(14-16)23(15-25(31-26)24-7-5-6-12-29-24)27(34)30-20-8-10-21(11-9-20)38(35,36)33-28-18(3)19(4)32-37-28/h5-15,33H,1-4H3,(H,30,34)
InChIKey
HTSLEZOTMYUPLU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ML193
CAS: 713121-80-3
CID: 1261822
Formula: C28H25N5O4S
MW: 527.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight527.6
XLogP34.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass527.16272547
Monoisotopic Mass527.16272547
Topological Polar Surface Area135 Ų
Heavy Atom Count38
Formal Charge0
Complexity921
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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