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N-Boc-N-bis (PEG3-NHS ester)

CAT: 0013-GTR19225240-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19225240-01Size:100 mg
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Description
N-Boc-N-bis (PEG3-NHS ester) is a heterobifunctional PEG linker designed for constructing PROTAC molecules. It enables the conjugation of target-binding ligands to E3 ligase recruiters, facilitating the study of targeted protein degradation in both cellular and biochemical assays.
CAS Number
2055042-31-2
Field of Research
Cell Biology, Pharmacology & Drug Discovery
Smiles
O=C (OC (C) (C) C) N (CCOCCOCCOCCC (=O) ON1C (=O) CCC1=O) CCOCCOCCOCCC (=O) ON2C (=O) CCC2=O
Molecular Formula
C31H49N3O16
Molecular Weight
719.73
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-Boc-N-bis(PEG3-NHS ester)
CAS Number2055042-31-2
PubChem CID123132134
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC31H49N3O16
Molecular Weight719.7
XLogP-1.9
Topological Polar Surface Area212
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count16
Rotatable Bond Count30
Heavy Atom Count50
Formal Charge0
Complexity1020
SMILES
CC(C)(C)OC(=O)N(CCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)CCOCCOCCOCCC(=O)ON2C(=O)CCC2=O
InChI
InChI=1S/C31H49N3O16/c1-31(2,3)48-30(41)32(10-14-44-18-22-46-20-16-42-12-8-28(39)49-33-24(35)4-5-25(33)36)11-15-45-19-23-47-21-17-43-13-9-29(40)50-34-26(37)6-7-27(34)38/h4-23H2,1-3H3
InChIKey
PQSUBGGFVYSVNA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Boc-N-bis(PEG3-NHS ester)
CAS: 2055042-31-2
CID: 123132134
Formula: C31H49N3O16
MW: 719.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight719.7
XLogP3-1.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count16
Rotatable Bond Count30
Exact Mass719.31128248
Monoisotopic Mass719.31128248
Topological Polar Surface Area212 Ų
Heavy Atom Count50
Formal Charge0
Complexity1020
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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