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Thalidomide 4-fluoride

CAT: 0013-GTR19216453-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19216453-01Size:1 g
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Description
Thalidomide 4-fluoride (Cereblon ligand 4) is the Thalidomide-based Cereblon ligand. Thalidomide 4-fluoride can be used in the recruitment of CRBN protein. Thalidomide 4-fluoride (Cereblon ligand 4) can be connected to the ligand for IRAK4 protein by a linker to form PROTAC IRAK4 degrader-1.
CAS Number
835616-60-9
Product Name Alternative
E3 ligase Ligand 4
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 300 mg/mL (1086.09 mM)
Smiles
Fc1cccc2C (=O) N (C3CCC (=O) NC3=O) C (=O) c12
Molecular Formula
C13H9FN2O4
Molecular Weight
276.223
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

1H-Isoindole-1,3(2H)-dione, 2-(2,6-dioxo-3-piperidinyl)-4-fluoro-
CAS Number835616-60-9
PubChem CID11859051
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione
Molecular FormulaC13H9FN2O4
Molecular Weight276.22
XLogP0.4
Topological Polar Surface Area83.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity507
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)F
InChI
InChI=1S/C13H9FN2O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h1-3,8H,4-5H2,(H,15,17,18)
InChIKey
CRAUTELYXAAAPW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1H-Isoindole-1,3(2H)-dione, 2-(2,6-dioxo-3-piperidinyl)-4-fluoro-
CAS: 835616-60-9
CID: 11859051
Formula: C13H9FN2O4
MW: 276.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight276.22
XLogP30.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass276.05463493
Monoisotopic Mass276.05463493
Topological Polar Surface Area83.6 Ų
Heavy Atom Count20
Formal Charge0
Complexity507
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

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