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Thalidomide-5-Br,6-F

CAT: 0931-T206358-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T206358-01Size:10 mg
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CAS Number
2803445-69-2
Target
Ligand for E3 Ligase
Related Pathways
PROTAC
Bioactivity
Thalidomide-5-Br,6-F is an analog of Thalidomide and acts as an E3 ligase activator. It facilitates the ubiquitination of proteins to promote proteolysis. The structure allows for further derivatization by substituting fluorine or bromine.
Smiles
O=C1NC(=O)C(N2C(=O)C3=CC(F)=C(Br)C=C3C2=O)CC1
Molecular Formula
C13H8BrFN2O4
Molecular Weight
355.116
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-bromo-2-(2,6-dioxopiperidin-3-yl)-6-fluoro-2,3-dihydro-1H-isoindole-1,3-dione
CAS Number2803445-69-2
PubChem CID162422175
IUPAC Name5-bromo-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione
Molecular FormulaC13H8BrFN2O4
Molecular Weight355.12
XLogP1.1
Topological Polar Surface Area83.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity540
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=CC(=C(C=C3C2=O)Br)F
InChI
InChI=1S/C13H8BrFN2O4/c14-7-3-5-6(4-8(7)15)13(21)17(12(5)20)9-1-2-10(18)16-11(9)19/h3-4,9H,1-2H2,(H,16,18,19)
InChIKey
YIDMXKLYNAEIDJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-bromo-2-(2,6-dioxopiperidin-3-yl)-6-fluoro-2,3-dihydro-1H-isoindole-1,3-dione
CAS: 2803445-69-2
CID: 162422175
Formula: C13H8BrFN2O4
MW: 355.12
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight355.12
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass353.96515
Monoisotopic Mass353.96515
Topological Polar Surface Area83.6 Ų
Heavy Atom Count21
Formal Charge0
Complexity540
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