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Chemical structure of PROTAC BRD4 Degrader-19

GC73448

PROTAC BRD4 Degrader-19

Also known as methyl 2-[(9S)-7-[4-[4-[[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]phenyl]methylcarbamoyl]phenyl]phenyl]-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetate

PROTAC BRD4 Degrader-19 (compound 176) is a PROTAC that targets BRD4 protein for degradation

ChemicalCAS2684292-71-3MW822.95FormulaC44H38N8O5S2
CAS number
2684292-71-3
Molecular weight
822.95
Formula
C44H38N8O5S2
Solubility
DMSO : 100 mg/mL (121·51 mM; Need ultrasonic)
InChIKey
HHSZFSOLNUHGMP-BHVANESWSA-N
Catalogue number
GC73448
Brand
GLPBIO
Computed properties PubChem CID 156822078 · XLogP 6.4 · TPSA 221 Ų · H-bond donors 3
XLogP
6.4
TPSA
221 Ų
H-bond donors
3
H-bond acceptors
11
Rotatable bonds
11
Heavy atoms
59

SMILES CC1=C2C(=CNC2=C(C=C1)NS(=O)(=O)C3=CC=C(C=C3)CNC(=O)C4=CC=C(C=C4)C5=CC=C(C=C5)C6=N[C@H](C7=NN=C(N7C8=C6C(=C(S8)C)C)C)CC(=O)OC)C#N

Computed descriptors from PubChem (CID 156822078), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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