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Chemical structure of FL-411 (BRD4-IN-1)

GC33015

FL-411 (BRD4-IN-1)

Also known as 5-(4-hydroxy-3,5-dimethylphenyl)-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one

FL-411 (BRD4-IN-1) is a potent and selective BRD4 inhibitor with an IC50 of 0·43±0·09 μM for BRD4(1)

ChemicalCAS2118944-88-8MW341.43FormulaC18H19N3O2S
CAS number
2118944-88-8
Molecular weight
341.43
Formula
C18H19N3O2S
Solubility
DMSO : 5·4 mg/mL (15·82 mM)
InChIKey
PXJZRFLBUBYEPV-UHFFFAOYSA-N
Catalogue number
GC33015
Brand
GLPBIO
Computed properties PubChem CID 135567026 · XLogP 2.6 · TPSA 93.2 Ų · H-bond donors 2
XLogP
2.6
TPSA
93.2 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
24

SMILES CC1=CC(=CC(=C1O)C)C2=NC3=C(C4=C(S3)CN(CC4)C)C(=O)N2

Computed descriptors from PubChem (CID 135567026), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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