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Thalidomide-5-methyl

CAT: 0931-T40503-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T40503-07Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
40313-92-6
Target
Autophagy, Apoptosis, Ligand for E3 Ligase
Related Pathways
Autophagy, Apoptosis, PROTAC
Purity
0.9948
Bioactivity
Thalidomide-5-methyl is a Thalidomide-based cereblon (CRBN) ligand used for the recruitment of CRBN protein.
Smiles
O=C1N(C(=O)C=2C1=CC(C)=CC2)C3C(=O)NC(=O)CC3
Molecular Formula
C14H12N2O4
Molecular Weight
272.26
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-(2,6-Dioxopiperidin-3-yl)-5-methylisoindoline-1,3-dione
CAS Number40313-92-6
PubChem CID21847923
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione
Molecular FormulaC14H12N2O4
Molecular Weight272.26
XLogP0.7
Topological Polar Surface Area83.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity501
SMILES
CC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O
InChI
InChI=1S/C14H12N2O4/c1-7-2-3-8-9(6-7)14(20)16(13(8)19)10-4-5-11(17)15-12(10)18/h2-3,6,10H,4-5H2,1H3,(H,15,17,18)
InChIKey
FIRKPGPRAMCBHV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2,6-Dioxopiperidin-3-yl)-5-methylisoindoline-1,3-dione
CAS: 40313-92-6
CID: 21847923
Formula: C14H12N2O4
MW: 272.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight272.26
XLogP30.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass272.07970687
Monoisotopic Mass272.07970687
Topological Polar Surface Area83.6 Ų
Heavy Atom Count20
Formal Charge0
Complexity501
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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