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DBCO-PEG4-PFP ester

CAT: 0931-T17798-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0931-T17798-02Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2182601-19-8
Target
PROTAC Linker, Others
Related Pathways
Others, PROTAC
Bioactivity
DBCO-PEG4-PFP ester 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(CCC(NCCOCCOCCOCCOCCC(OC1=C(F)C(F)=C(F)C(F)=C1F)=O)=O)N2CC3=C(C=CC=C3)C#CC4=C2C=CC=C4
Molecular Formula
C36H35F5N2O8
Molecular Weight
718.66
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 129012715
CAS Number2182601-19-8
PubChem CID129012715
IUPAC Name(2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[2-[3-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC36H35F5N2O8
Molecular Weight718.7
XLogP3.3
Topological Polar Surface Area113
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count20
Heavy Atom Count51
Formal Charge0
Complexity1160
SMILES
C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCNC(=O)CCOCCOCCOCCOCCC(=O)OC4=C(C(=C(C(=C4F)F)F)F)F
InChI
InChI=1S/C36H35F5N2O8/c37-31-32(38)34(40)36(35(41)33(31)39)51-30(46)13-16-48-18-20-50-22-21-49-19-17-47-15-12-28(44)42-14-11-29(45)43-23-26-7-2-1-5-24(26)9-10-25-6-3-4-8-27(25)43/h1-8H,11-23H2,(H,42,44)
InChIKey
VBEGUYJJOBPCLU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 129012715
CAS: 2182601-19-8
CID: 129012715
Formula: C36H35F5N2O8
MW: 718.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight718.7
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count20
Exact Mass718.23135689
Monoisotopic Mass718.23135689
Topological Polar Surface Area113 Ų
Heavy Atom Count51
Formal Charge0
Complexity1160
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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T15073-01DBCO-PEG4-NHS ester
T16260-01N3-PEG4-C2-Pfp ester
T17544-01Biotin-amido-PEG4-PFP ester
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Alternative Products

CatalogName
GTR19225674-01DBCO-PEG4-PFP ester
BIPG2171-01DBCO-PEG2-PFP ester
HY-138382-01M-PEG4-PFP ester
HY-140006-01Diketone-PEG4-PFP ester
MBS5799326Biotin-PEG4-PFP ester
MBS5768677Bis-PEG4-PFP ester
GTR19226366Mal-PEG4-PFP ester
HY-132097Bromo-PEG4-PFP ester
sc-496419Azido-PEG4-PFP ester

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