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Me-Thalidomide-O-C8-NH2

CAT: 0931-T201588-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T201588-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2550393-20-7
Target
E3 Ligase Ligand-Linker Conjugate, Antibacterial
Related Pathways
Microbiology/Virology, PROTAC
Bioactivity
Me-Thalidomide-O-C8-NH2 is an E3 ubiquitin ligase ligand-linker conjugate (E3 Ligase Ligand-linker conjugate) . This compound is utilized in the synthesis of MS154N.
Smiles
O=C1C=2C=CC=C(OCCCCCCCCN)C2C(=O)N1C3C(=O)N(C(=O)CC3)C
Molecular Formula
C22H29N3O5
Molecular Weight
415.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-(8-Aminooctoxy)-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CAS Number2550393-20-7
PubChem CID176419286
IUPAC Name4-(8-aminooctoxy)-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Molecular FormulaC22H29N3O5
Molecular Weight415.5
XLogP1.9
Topological Polar Surface Area110
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count30
Formal Charge0
Complexity667
SMILES
CN1C(=O)CCC(C1=O)N2C(=O)C3=C(C2=O)C(=CC=C3)OCCCCCCCCN
InChI
InChI=1S/C22H29N3O5/c1-24-18(26)12-11-16(21(24)28)25-20(27)15-9-8-10-17(19(15)22(25)29)30-14-7-5-3-2-4-6-13-23/h8-10,16H,2-7,11-14,23H2,1H3
InChIKey
SQDMQZBNBNYFPZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(8-Aminooctoxy)-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CAS: 2550393-20-7
CID: 176419286
Formula: C22H29N3O5
MW: 415.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.5
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass415.21072103
Monoisotopic Mass415.21072103
Topological Polar Surface Area110 Ų
Heavy Atom Count30
Formal Charge0
Complexity667
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

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