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Propargyl-PEG2-urea-C3-triethoxysilane

CAT: 0013-GTR19222363-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19222363-01Size:100 mg
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Description
This compound is a triethoxysilane-functionalized PEG linker designed for constructing PROTAC molecules. It enables the conjugation of warheads to E3 ligase ligands and is used in synthesizing degraders for both in vitro and in vivo target validation studies.
CAS Number
1637329-79-3
Field of Research
Metabolism Research; Kidney & Urological Research, Pharmacology & Drug Discovery
Smiles
CCO[Si] (CCCNC (=O) NCCOCCOCC#C) (OCC) OCC
Molecular Formula
C17H34N2O6Si
Molecular Weight
390.552
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Propargyl-PEG2-urea-C3-triethoxysilane
CAS Number1637329-79-3
PubChem CID156597071
IUPAC Name1-[2-(2-prop-2-ynoxyethoxy)ethyl]-3-(3-triethoxysilylpropyl)urea
Molecular FormulaC17H34N2O6Si
Molecular Weight390.5
Topological Polar Surface Area87.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count17
Heavy Atom Count26
Formal Charge0
Complexity385
SMILES
CCO[Si](CCCNC(=O)NCCOCCOCC#C)(OCC)OCC
InChI
InChI=1S/C17H34N2O6Si/c1-5-12-21-14-15-22-13-11-19-17(20)18-10-9-16-26(23-6-2,24-7-3)25-8-4/h1H,6-16H2,2-4H3,(H2,18,19,20)
InChIKey
CROJZDYLRUYBMZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Propargyl-PEG2-urea-C3-triethoxysilane
CAS: 1637329-79-3
CID: 156597071
Formula: C17H34N2O6Si
MW: 390.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count17
Exact Mass390.21861334
Monoisotopic Mass390.21861334
Topological Polar Surface Area87.3 Ų
Heavy Atom Count26
Formal Charge0
Complexity385
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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