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Chemical structure of tBID

GC37746

tBID

Also known as 4,5,6,7-tetrabromo-2-(1H-imidazol-2-yl)isoindole-1,3-dione

tBID is a selective inhibitor of homeodomain-interacting protein kinase 2 (HIPK2) with an IC50 of ?0·33 ?M

ChemicalCAS1639895-85-4MW528.78FormulaC11H3Br4N3O2
CAS number
1639895-85-4
Molecular weight
528.78
Formula
C11H3Br4N3O2
Solubility
DMSO： 26 mg/mL (49·17 mM and warming)
InChIKey
ZQXVUBDNHQEMGO-UHFFFAOYSA-N
Catalogue number
GC37746
Brand
GLPBIO
Computed properties PubChem CID 126843228 · XLogP 3.7 · TPSA 66.1 Ų · H-bond donors 1
XLogP
3.7
TPSA
66.1 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
20

SMILES C1=CN=C(N1)N2C(=O)C3=C(C2=O)C(=C(C(=C3Br)Br)Br)Br

Computed descriptors from PubChem (CID 126843228), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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