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Thalidomide-5-NH-C-alkyne

CAT: 0804-HY-W674324-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W674324-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Thalidomide-5-NH-C-alkyne contains an E3 ligase ligand with a terminal alkyne. Thalidomide-5-NH-C-alkyne is ready for conjugation to target proteins for PROTAC.
CAS Number
2357110-24-6
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
E3 Ligase Ligand-Linker Conjugates
Related Pathways
PROTAC
Field of Research
Cancer
Purity
98.0
Smiles
O=C1N(C(C2=C1C=CC(NCC#C)=C2)=O)C3CCC(NC3=O)=O
Molecular Formula
C16H13N3O4
Molecular Weight
311.30
Precautions
H302, H315, H319, H335
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-(2,6-Dioxopiperidin-3-yl)-5-(prop-2-yn-1-ylamino)isoindoline-1,3-dione
CAS Number2357110-24-6
PubChem CID138694956
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-(prop-2-ynylamino)isoindole-1,3-dione
Molecular FormulaC16H13N3O4
Molecular Weight311.29
XLogP0.4
Topological Polar Surface Area95.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity620
SMILES
C#CCNC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O
InChI
InChI=1S/C16H13N3O4/c1-2-7-17-9-3-4-10-11(8-9)16(23)19(15(10)22)12-5-6-13(20)18-14(12)21/h1,3-4,8,12,17H,5-7H2,(H,18,20,21)
InChIKey
GZDHFXSZORAMRL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2,6-Dioxopiperidin-3-yl)-5-(prop-2-yn-1-ylamino)isoindoline-1,3-dione
CAS: 2357110-24-6
CID: 138694956
Formula: C16H13N3O4
MW: 311.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight311.29
XLogP30.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass311.09060590
Monoisotopic Mass311.09060590
Topological Polar Surface Area95.6 Ų
Heavy Atom Count23
Formal Charge0
Complexity620
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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