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E3 Ligand-Linker Conjugate 10

CAT: 1410-M13070Size: 1 EachDry Ice: NoHazardous: No
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Description
An E3 ligase ligand-linker conjugate for PROTAC.
CAS Number
1957236-22-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
550.565
Molecular Formula
C25H34N4O10
Notes
Research use only, not for human use.
Receptor
E3 Ligase Ligand

Chemical Information

Thalidomide-O-amido-PEG4-C2-NH2
CAS Number1957236-22-4
PubChem CID121439758
IUPAC NameN-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide
Molecular FormulaC25H34N4O10
Molecular Weight550.6
XLogP-2.1
Topological Polar Surface Area185
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count18
Heavy Atom Count39
Formal Charge0
Complexity857
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCC(=O)NCCOCCOCCOCCOCCN
InChI
InChI=1S/C25H34N4O10/c26-6-8-35-10-12-37-14-15-38-13-11-36-9-7-27-21(31)16-39-19-3-1-2-17-22(19)25(34)29(24(17)33)18-4-5-20(30)28-23(18)32/h1-3,18H,4-16,26H2,(H,27,31)(H,28,30,32)
InChIKey
XXVMHTPJBXBXRY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thalidomide-O-amido-PEG4-C2-NH2
CAS: 1957236-22-4
CID: 121439758
Formula: C25H34N4O10
MW: 550.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight550.6
XLogP3-2.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count18
Exact Mass550.22749329
Monoisotopic Mass550.22749329
Topological Polar Surface Area185 Ų
Heavy Atom Count39
Formal Charge0
Complexity857
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