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TCO-PEG3-acid

CAT: 0931-T18762-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T18762-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2141981-86-2
Target
Others, PROTAC Linker
Related Pathways
PROTAC, Others
Bioactivity
TCO-PEG3-acid, a PEG-based linker for PROTACs, joins two essential ligands crucial for forming PROTAC molecules, enabling selective protein degradation by leveraging the ubiquitin-proteasome system within cells.
Smiles
OC(=O)CCOCCOCCOCCNC(=O)OC1CCCC=CCC1 |w:23.23|
Molecular Formula
C18H31NO7
Molecular Weight
373.446
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

TCO-PEG3-acid
CAS Number2141981-86-2
PubChem CID146026234
IUPAC Name3-[2-[2-[2-[[(4Z)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]propanoic acid
Molecular FormulaC18H31NO7
Molecular Weight373.4
XLogP1.3
Topological Polar Surface Area103
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count14
Heavy Atom Count26
Formal Charge0
Complexity414
SMILES
C1C/C=C\CCC(C1)OC(=O)NCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C18H31NO7/c20-17(21)8-10-23-12-14-25-15-13-24-11-9-19-18(22)26-16-6-4-2-1-3-5-7-16/h1-2,16H,3-15H2,(H,19,22)(H,20,21)/b2-1-
InChIKey
LUXDTTWUFRONNF-UPHRSURJSA-N
Chemical Structure
2D Structure
2D structure of TCO-PEG3-acid
CAS: 2141981-86-2
CID: 146026234
Formula: C18H31NO7
MW: 373.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight373.4
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count14
Exact Mass373.21005233
Monoisotopic Mass373.21005233
Topological Polar Surface Area103 Ų
Heavy Atom Count26
Formal Charge0
Complexity414
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes