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DBCO-C-PEG1

CAT: 0931-T17743-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T17743-01Size:100 mg
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CAS Number
2377004-09-4
Target
Others, PROTAC Linker
Related Pathways
Others, PROTAC
Bioactivity
DBCO-C-PEG1 is a PEG-based linker for PROTACs that joins two essential ligands, crucial for forming PROTAC molecules, facilitating selective protein degradation by utilizing the ubiquitin-proteasome system within cells.
Smiles
O=C(NCCCO)CCC(=O)N1C=2C=CC=CC2C#CC=3C=CC=CC3C1
Molecular Formula
C22H22N2O3
Molecular Weight
362.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

DBCO-C3-alcohol
CAS Number2377004-09-4
PubChem CID139593589
IUPAC Name4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-N-(3-hydroxypropyl)-4-oxobutanamide
Molecular FormulaC22H22N2O3
Molecular Weight362.4
XLogP1.7
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity591
SMILES
C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)NCCCO
InChI
InChI=1S/C22H22N2O3/c25-15-5-14-23-21(26)12-13-22(27)24-16-19-8-2-1-6-17(19)10-11-18-7-3-4-9-20(18)24/h1-4,6-9,25H,5,12-16H2,(H,23,26)
InChIKey
DKPIBDQFMSUYSD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DBCO-C3-alcohol
CAS: 2377004-09-4
CID: 139593589
Formula: C22H22N2O3
MW: 362.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight362.4
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass362.16304257
Monoisotopic Mass362.16304257
Topological Polar Surface Area69.6 Ų
Heavy Atom Count27
Formal Charge0
Complexity591
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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