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DBCO-PEG4-PFP ester

CAT: 0013-GTR19225674-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19225674-01Size:25 mg
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Description
DBCO-PEG4-PFP ester is a heterobifunctional linker used to construct PROTAC molecules for targeted protein degradation research. Its application facilitates the study of protein function and therapeutic potential in both cellular and animal models by engaging the ubiquitin-proteasome system.
CAS Number
2182601-19-8
Field of Research
Pharmacology & Drug Discovery
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
Storage Conditions
-20°C
Notes
For research use only.

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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MBS5770667DBCO-PEG4-PFP ester
BIPG2171-01DBCO-PEG2-PFP ester
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HY-126998-01Bis-PEG4-PFP ester
BIPG1233Biotin-PEG4-PFP ester
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