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Chemical structure of PROTAC BET-binding moiety 2

GC34726

PROTAC BET-binding moiety 2

Also known as (9S)-7-(4-chlorophenyl)-9-(2-methoxy-2-oxoethyl)-5,13-dimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene-4-carboxylic acid

PROTAC BET-binding moiety 2 is an inhibitor of BET bromodomain

ChemicalCAS916493-82-8MW444.89FormulaC20H17ClN4O4S
CAS number
916493-82-8
Molecular weight
444.89
Formula
C20H17ClN4O4S
Solubility
DMSO : 42·86 mg/mL (96·34 mM)
InChIKey
LZXZWZXAVDJSIL-ZDUSSCGKSA-N
Catalogue number
GC34726
Brand
GLPBIO
Computed properties PubChem CID 67446188 · XLogP 3.3 · TPSA 135 Ų · H-bond donors 1
XLogP
3.3
TPSA
135 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
30

SMILES CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC)C4=CC=C(C=C4)Cl)C(=O)O

Computed descriptors from PubChem (CID 67446188), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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