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Pip-alkyne-Ph-COOCH3

CAT: 0013-GTR19225096-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19225096-01Size:100 mg
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Description
This alkyl-chain linker, Pip-alkyne-Ph-COOCH3, is a key component used in constructing the PROTAC molecule ARD-266. It serves to connect the E3 ligase ligand and the target protein ligand, enabling the degradation of target proteins in biochemical and cellular research.
CAS Number
2308496-47-9
Field of Research
Musculoskeletal & Connective Tissue Research, Pharmacology & Drug Discovery
Smiles
O=C (OC) C1=CC=C (C#CC2CCNCC2) C=C1
Molecular Formula
C15H17NO2
Molecular Weight
243.3
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pip-alkyne-Ph-COOCH3
CAS Number2308496-47-9
PubChem CID145721680
IUPAC Namemethyl 4-(2-piperidin-4-ylethynyl)benzoate
Molecular FormulaC15H17NO2
Molecular Weight243.30
XLogP2.3
Topological Polar Surface Area38.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity338
SMILES
COC(=O)C1=CC=C(C=C1)C#CC2CCNCC2
InChI
InChI=1S/C15H17NO2/c1-18-15(17)14-6-4-12(5-7-14)2-3-13-8-10-16-11-9-13/h4-7,13,16H,8-11H2,1H3
InChIKey
MVKCFRVJYFABPF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pip-alkyne-Ph-COOCH3
CAS: 2308496-47-9
CID: 145721680
Formula: C15H17NO2
MW: 243.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight243.30
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass243.125928785
Monoisotopic Mass243.125928785
Topological Polar Surface Area38.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity338
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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