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Oleic-DBCO

CAT: 0013-GTR19225128-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19225128-02Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Oleic-DBCO is an alkyl chain linker designed for constructing PROTAC molecules, which facilitate targeted protein degradation via the ubiquitin-proteasome system. This linker is utilized in both in vitro and in vivo research to develop degraders for oncology and disease biology studies.
CAS Number
2279951-78-7
Field of Research
Pharmacology & Drug Discovery
Smiles
CCCCCCCCC=CCCCCCCCC (=O) NCCC (=O) N1Cc2ccccc2C#Cc2ccccc12 |w:9.9|
Molecular Formula
C36H48N2O2
Molecular Weight
540.792
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Oleic-DBCO
CAS Number2279951-78-7
PubChem CID137334027
IUPAC Name(Z)-N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]octadec-9-enamide
Molecular FormulaC36H48N2O2
Molecular Weight540.8
XLogP9.6
Topological Polar Surface Area49.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count18
Heavy Atom Count40
Formal Charge0
Complexity821
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)NCCC(=O)N1CC2=CC=CC=C2C#CC3=CC=CC=C31
InChI
InChI=1S/C36H48N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-35(39)37-29-28-36(40)38-30-33-23-18-17-21-31(33)26-27-32-22-19-20-24-34(32)38/h9-10,17-24H,2-8,11-16,25,28-30H2,1H3,(H,37,39)/b10-9-
InChIKey
XQWJKAQVIAJNTR-KTKRTIGZSA-N
Chemical Structure
2D Structure
2D structure of Oleic-DBCO
CAS: 2279951-78-7
CID: 137334027
Formula: C36H48N2O2
MW: 540.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight540.8
XLogP39.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count18
Exact Mass540.37157878
Monoisotopic Mass540.37157878
Topological Polar Surface Area49.4 Ų
Heavy Atom Count40
Formal Charge0
Complexity821
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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