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Azido-PEG2-VHL

CAT: 0931-T82928-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T82928-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2597167-22-9
Target
PROTACs, E3 Ligase Ligand-Linker Conjugate
Related Pathways
PROTAC
Bioactivity
Azido-PEG2-VHL is a multikinase degrader used in the synthesis of PROTACs (PROteolysis TArgeting Chimeras) [1].
Smiles
C([C@@H](NC(CCOCCOCCN=[N+]=[N-])=O)[C@](C)(C)C)(=O)N1[C@H](C(NCC2=CC=C(C=C2)C3=C(C)N=CS3)=O)C[C@@H](O)C1
Molecular Formula
C29H41N7O6S
Molecular Weight
615.74
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Azido-PEG2-VHL
CAS Number2597167-22-9
PubChem CID155292790
IUPAC Name(2S,4R)-1-[(2S)-2-[3-[2-(2-azidoethoxy)ethoxy]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
Molecular FormulaC29H41N7O6S
Molecular Weight615.7
XLogP2.9
Topological Polar Surface Area173
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count16
Heavy Atom Count43
Formal Charge0
Complexity967
SMILES
CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCOCCOCCN=[N+]=[N-])O
InChI
InChI=1S/C29H41N7O6S/c1-19-25(43-18-32-19)21-7-5-20(6-8-21)16-31-27(39)23-15-22(37)17-36(23)28(40)26(29(2,3)4)34-24(38)9-11-41-13-14-42-12-10-33-35-30/h5-8,18,22-23,26,37H,9-17H2,1-4H3,(H,31,39)(H,34,38)/t22-,23+,26-/m1/s1
InChIKey
FXRBDYWHWCJFLA-MVERNJQCSA-N
Chemical Structure
2D Structure
2D structure of Azido-PEG2-VHL
CAS: 2597167-22-9
CID: 155292790
Formula: C29H41N7O6S
MW: 615.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight615.7
XLogP32.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count16
Exact Mass615.28390323
Monoisotopic Mass615.28390323
Topological Polar Surface Area173 Ų
Heavy Atom Count43
Formal Charge0
Complexity967
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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