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Chemical structure of BDW568

GC91379

BDW568

Also known as methyl 2-[(11,12-dimethyl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-yl)sulfanyl]acetate

BDW568 is an agonist of stimulator of interferon genes (STING) and a prodrug form of BDW-OH

ChemicalCAS335401-44-0MW308.4FormulaC12H12N4O2S2
CAS number
335401-44-0
Molecular weight
308.4
Formula
C12H12N4O2S2
Solubility
Acetonitrile： Soluble,Chloroform： Soluble,Methanol： Soluble
InChIKey
RNNRGNUAQCUYEG-UHFFFAOYSA-N
Catalogue number
GC91379
Brand
GLPBIO
Computed properties PubChem CID 865420 · XLogP 3.4 · TPSA 123 Ų · H-bond donors 0
XLogP
3.4
TPSA
123 Ų
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
20

SMILES CC1=C(SC2=C1C3=NN=C(N3C=N2)SCC(=O)OC)C

Computed descriptors from PubChem (CID 865420), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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