Sch.336

Ligand id: 9799

Name: Sch.336

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 158.05
Molecular weight 539.07
XLogP 3.43
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[(1S)-1-{4-[4-methoxy-2-(4-methoxybenzenesulfonyl)benzenesulfonyl]phenyl}ethyl]methanesulfonamide
Synonyms
analog 4j [PMID: 15664857] | SCH-336 | SCH336
Comments
Sch.336 is a novel inverse agonist that is selective for the cannabinoid receptor CB2 that is expressed on peripheral immune cells [1-2]. It is suitable for in vitro and in vivo studies.
Database Links
BindingDB Ligand 50160446
ChEMBL Ligand CHEMBL180465
GtoPdb PubChem SID 354702271
PubChem CID 10324989
Search Google for chemical match using the InChIKey NXODIUKWAVUFGF-INIZCTEOSA-N
Search Google for chemicals with the same backbone NXODIUKWAVUFGF
Search UniChem for chemical match using the InChIKey NXODIUKWAVUFGF-INIZCTEOSA-N
Search UniChem for chemicals with the same backbone NXODIUKWAVUFGF

Product suppliers

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Tocris
SCH 336
Cat. No. 5815