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Lipoamido-PEG4-acid

CAT: 0931-T15764-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T15764-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1314378-10-3
Target
Others, PROTAC Linker
Related Pathways
Others, PROTAC
Bioactivity
Lipoamido-PEG4-acid is a PEG-based linker for PROTACs that joins two essential ligands, crucial for forming PROTAC molecules, enabling selective protein degradation by leveraging the ubiquitin-proteasome system within cells.
Smiles
O=C(O)CCOCCOCCOCCOCCNC(=O)CCCCC1SSCC1
Molecular Formula
C19H35NO7S2
Molecular Weight
453.61
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Lipoamido-PEG4-acid
CAS Number1314378-10-3
PubChem CID75535062
IUPAC Name3-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Molecular FormulaC19H35NO7S2
Molecular Weight453.6
XLogP0.3
Topological Polar Surface Area154
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count20
Heavy Atom Count29
Formal Charge0
Complexity429
SMILES
C1CSSC1CCCCC(=O)NCCOCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C19H35NO7S2/c21-18(4-2-1-3-17-6-16-28-29-17)20-7-9-25-11-13-27-15-14-26-12-10-24-8-5-19(22)23/h17H,1-16H2,(H,20,21)(H,22,23)
InChIKey
QJFPDZROPSGMGV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lipoamido-PEG4-acid
CAS: 1314378-10-3
CID: 75535062
Formula: C19H35NO7S2
MW: 453.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight453.6
XLogP30.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count20
Exact Mass453.18549480
Monoisotopic Mass453.18549480
Topological Polar Surface Area154 Ų
Heavy Atom Count29
Formal Charge0
Complexity429
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes