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Boc-NH-PEG3-propargyl

CAT: 0013-GTR19215914-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19215914-01Size:100 mg
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Description
Boc-NH-PEG3-propargyl is a heterobifunctional PROTAC linker used to conjugate a target-binding ligand to an E3 ligase recruiter. Its PEG spacer and alkyne handle facilitate the construction of degraders for probing protein function in both cellular and in vivo models.
CAS Number
1333880-60-6
Field of Research
Cell Biology, Pharmacology & Drug Discovery
Smiles
N (CCOCCOCCOCC#C) C (OC (C) (C) C) =O
Molecular Formula
C14H25NO5
Molecular Weight
287.35
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

t-Boc-N-Amido-PEG3-propargyl
CAS Number1333880-60-6
PubChem CID126480465
IUPAC Nametert-butyl N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]carbamate
Molecular FormulaC14H25NO5
Molecular Weight287.35
XLogP0.6
Topological Polar Surface Area66
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Heavy Atom Count20
Formal Charge0
Complexity302
SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCC#C
InChI
InChI=1S/C14H25NO5/c1-5-7-17-9-11-19-12-10-18-8-6-15-13(16)20-14(2,3)4/h1H,6-12H2,2-4H3,(H,15,16)
InChIKey
IKRULGOPBBCYPJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of t-Boc-N-Amido-PEG3-propargyl
CAS: 1333880-60-6
CID: 126480465
Formula: C14H25NO5
MW: 287.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight287.35
XLogP30.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Exact Mass287.17327290
Monoisotopic Mass287.17327290
Topological Polar Surface Area66 Ų
Heavy Atom Count20
Formal Charge0
Complexity302
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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