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Endo-BCN-PEG12-acid

CAT: 0931-T17932-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T17932-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2183440-27-7
Target
Others, PROTAC Linker
Related Pathways
Others, PROTAC
Bioactivity
Endo-BCN-PEG12-acid is a PEG-based linker for PROTACs that joins two essential ligands, crucial for forming PROTAC molecules, and enables selective protein degradation by leveraging the ubiquitin-proteasome system within cells.
Smiles
O=C(OCC1C2CCC#CCCC12)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(O)=O
Molecular Formula
C38H67NO16
Molecular Weight
793.94
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

endo-BCN-PEG12-acid
CAS Number2183440-27-7
PubChem CID129012710
IUPAC Name3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(9-bicyclo[6.1.0]non-4-ynylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Molecular FormulaC38H67NO16
Molecular Weight793.9
XLogP0.1
Topological Polar Surface Area186
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count16
Rotatable Bond Count42
Heavy Atom Count55
Formal Charge0
Complexity961
SMILES
C1CC2C(C2COC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O)CCC#C1
InChI
InChI=1S/C38H67NO16/c40-37(41)7-9-43-11-13-45-15-17-47-19-21-49-23-25-51-27-29-53-31-32-54-30-28-52-26-24-50-22-20-48-18-16-46-14-12-44-10-8-39-38(42)55-33-36-34-5-3-1-2-4-6-35(34)36/h34-36H,3-33H2,(H,39,42)(H,40,41)
InChIKey
VLDILOCSPCYAIX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of endo-BCN-PEG12-acid
CAS: 2183440-27-7
CID: 129012710
Formula: C38H67NO16
MW: 793.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight793.9
XLogP30.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count16
Rotatable Bond Count42
Exact Mass793.44598505
Monoisotopic Mass793.44598505
Topological Polar Surface Area186 Ų
Heavy Atom Count55
Formal Charge0
Complexity961
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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