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Thalidomide-iodo

CAT: 0804-HY-W586331-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W586331-02Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Thalidomide-iodo is an iodinated E3 ligase activator. Thalidomide-iodo can be used for further derivitization by substitution of iodine.
CAS Number
2509137-01-1
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Ligands for E3 Ligase
Related Pathways
PROTAC
Field of Research
Cancer
Purity
98.0
Smiles
O=C1C2=CC=C(C=C2C(N1C3C(NC(CC3)=O)=O)=O)I
Molecular Formula
C13H9IN2O4
Molecular Weight
384.13
Precautions
H302, H315, H319, H335
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-(2,6-Dioxopiperidin-3-yl)-5-iodoisoindoline-1,3-dione
CAS Number2509137-01-1
PubChem CID147266066
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-iodoisoindole-1,3-dione
Molecular FormulaC13H9IN2O4
Molecular Weight384.13
XLogP1
Topological Polar Surface Area83.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity507
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)I
InChI
InChI=1S/C13H9IN2O4/c14-6-1-2-7-8(5-6)13(20)16(12(7)19)9-3-4-10(17)15-11(9)18/h1-2,5,9H,3-4H2,(H,15,17,18)
InChIKey
CPMXADCMGIFEEI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2,6-Dioxopiperidin-3-yl)-5-iodoisoindoline-1,3-dione
CAS: 2509137-01-1
CID: 147266066
Formula: C13H9IN2O4
MW: 384.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight384.13
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass383.96070
Monoisotopic Mass383.96070
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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