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Thalidomide-propargyl

CAT: 0931-T18831-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T18831-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2098487-39-7
Target
Apoptosis, Ligand for E3 Ligase, Autophagy, E3 Ligase Ligand-Linker Conjugate
Related Pathways
Autophagy, PROTAC, Apoptosis
Purity
0.9514
Bioactivity
Thalidomide-propargyl, a Thalidomide-derived Cereblon ligand, facilitates the recruitment of Cereblon. It can be attached to the protein ligand via a linker, producing IMiD-containing PROTACs.
Smiles
O=C1C=2C(C(=O)N1C3C(=O)NC(=O)CC3)=CC=CC2OCC#C
Molecular Formula
C16H12N2O5
Molecular Weight
312.28
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Thalidomide-propargyl
CAS Number2098487-39-7
PubChem CID132118478
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4-prop-2-ynoxyisoindole-1,3-dione
Molecular FormulaC16H12N2O5
Molecular Weight312.28
XLogP0.4
Topological Polar Surface Area92.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity619
SMILES
C#CCOC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O
InChI
InChI=1S/C16H12N2O5/c1-2-8-23-11-5-3-4-9-13(11)16(22)18(15(9)21)10-6-7-12(19)17-14(10)20/h1,3-5,10H,6-8H2,(H,17,19,20)
InChIKey
NOGQTNDSZFYNTM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thalidomide-propargyl
CAS: 2098487-39-7
CID: 132118478
Formula: C16H12N2O5
MW: 312.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.28
XLogP30.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass312.07462149
Monoisotopic Mass312.07462149
Topological Polar Surface Area92.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity619
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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