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Thalidomide-benzo

CAT: 0931-T208149-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T208149-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
458151-34-3
Target
Autophagy, Apoptosis, Ligand for E3 Ligase
Related Pathways
Apoptosis, PROTAC, Autophagy
Bioactivity
Thalidomide-benzo is a Thalidomide-based cereblon ligand that recruits CRBN proteins. By using a linker, Thalidomide-benzo can connect with a target protein ligand to form a PROTAC molecule.
Smiles
O=C1NC(=O)C(N2C(=O)C3=CC=4C=CC=CC4C=C3C2=O)CC1
Molecular Formula
C17H12N2O4
Molecular Weight
308.29
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Thalidomide-benzo
CAS Number458151-34-3
PubChem CID44224974
IUPAC Name2-(2,6-dioxopiperidin-3-yl)benzo[f]isoindole-1,3-dione
Molecular FormulaC17H12N2O4
Molecular Weight308.29
XLogP1.6
Topological Polar Surface Area83.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity555
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=CC4=CC=CC=C4C=C3C2=O
InChI
InChI=1S/C17H12N2O4/c20-14-6-5-13(15(21)18-14)19-16(22)11-7-9-3-1-2-4-10(9)8-12(11)17(19)23/h1-4,7-8,13H,5-6H2,(H,18,20,21)
InChIKey
WEZVWZZGZAYKRL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thalidomide-benzo
CAS: 458151-34-3
CID: 44224974
Formula: C17H12N2O4
MW: 308.29
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight308.29
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass308.07970687
Monoisotopic Mass308.07970687
Topological Polar Surface Area83.6 Ų
Heavy Atom Count23
Formal Charge0
Complexity555
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes