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Chemical structure of CD12681

GB40141

CD12681

Also known as N-(2,4-dimethylphenyl)-N-(2-methylpropyl)-1-(oxan-4-ylmethyl)-2-oxo-3H-benzimidazole-5-sulfonamide

CD12681 is a potent RORγ inverse agonist with an IC50 value of 19 nM· CD12681 showed in vivo activity in an IL-23 induced skin inflammation model in mouse· Preclinical candidate for the topical treatment of psoriasis

ChemicalCAS1952239-59-6MW471.61FormulaC25H33N3O4S
CAS number
1952239-59-6
Molecular weight
471.61
Formula
C25H33N3O4S
InChIKey
RZXJZXXYHNBHNX-UHFFFAOYSA-N
Catalogue number
GB40141
Brand
GLPBIO
Computed properties PubChem CID 121427905 · XLogP 4.1 · TPSA 87.3 Ų · H-bond donors 1
XLogP
4.1
TPSA
87.3 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
33

SMILES CC1=CC(=C(C=C1)N(CC(C)C)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)N3)CC4CCOCC4)C

Computed descriptors from PubChem (CID 121427905), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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