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F6524-1593

CAT: 0804-HY-172958Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-172958Size:1 Each
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Description
F6524-1593 is an ALK inhibitor. F6524-1593 has inhibitory activity against A549 and HepG-2 cells with IC50 values of 161.1 μM and 91.03 μM, respectively. F6524-1593 can be used in the research of ALK-related cancers (such as non-small cell lung cancer, lymphoma and neuroblastoma) [1].
CAS Number
2034409-47-5
UNSPSC
12352211
Target
Anaplastic lymphoma kinase (ALK)
Related Pathways
Protein Tyrosine Kinase/RTK
Field of Research
Cancer
Smiles
O=C(NCC1=NC(C2=CC=CNC2=O)=NO1)CCC3=NC4=CC=CC=C4N3
Molecular Formula
C18H16N6O3
Molecular Weight
364.36
References & Citations
[1]Zhang YK, et al. Identification, experimental validation, and computational evaluation of potential ALK inhibitors through hierarchical virtual screening. SAR QSAR Environ Res. 2025 Apr 29:1-15.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

3-(1H-benzo[d]imidazol-2-yl)-N-((3-(2-oxo-1,2-dihydropyridin-3-yl)-1,2,4-oxadiazol-5-yl)methyl)propanamide
CAS Number2034409-47-5
PubChem CID136666507
IUPAC Name3-(1H-benzimidazol-2-yl)-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
Molecular FormulaC18H16N6O3
Molecular Weight364.4
XLogP0.7
Topological Polar Surface Area126
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity637
SMILES
C1=CC=C2C(=C1)NC(=N2)CCC(=O)NCC3=NC(=NO3)C4=CC=CNC4=O
InChI
InChI=1S/C18H16N6O3/c25-15(8-7-14-21-12-5-1-2-6-13(12)22-14)20-10-16-23-17(24-27-16)11-4-3-9-19-18(11)26/h1-6,9H,7-8,10H2,(H,19,26)(H,20,25)(H,21,22)
InChIKey
LGTUIZPCAHZTSW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(1H-benzo[d]imidazol-2-yl)-N-((3-(2-oxo-1,2-dihydropyridin-3-yl)-1,2,4-oxadiazol-5-yl)methyl)propanamide
CAS: 2034409-47-5
CID: 136666507
Formula: C18H16N6O3
MW: 364.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight364.4
XLogP30.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass364.12838839
Monoisotopic Mass364.12838839
Topological Polar Surface Area126 Ų
Heavy Atom Count27
Formal Charge0
Complexity637
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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