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SJ6986

CAT: 0931-T41257-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T41257-02Size:1 mL - 10 mM (in DMSO)
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2765625-93-0
Target
Molecular Glues, Others
Related Pathways
Others, PROTAC
Purity
0.9973
Bioactivity
SJ6986 is a potent, selective, and orally active GSPT1/2 degrader, effectively degrading GSPT1 with a DC50 of 2.1 nM (D max 99%) [1].
Smiles
O=C1N(C(=O)C=2C1=CC(NS(=O)(=O)C3=C(OC(F)(F)F)C=CC=C3)=CC2)C4C(=O)NC(=O)CC4
Molecular Formula
C20H14F3N3O7S
Molecular Weight
497.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(2-(2,6-Dioxopiperidin-3-yl)-1,3-dioxoisoindolin-5-yl)-2-(trifluoromethoxy)benzenesulfonamide
CAS Number2765625-93-0
PubChem CID155925914
IUPAC NameN-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-(trifluoromethoxy)benzenesulfonamide
Molecular FormulaC20H14F3N3O7S
Molecular Weight497.4
XLogP1.8
Topological Polar Surface Area147
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity981
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4OC(F)(F)F
InChI
InChI=1S/C20H14F3N3O7S/c21-20(22,23)33-14-3-1-2-4-15(14)34(31,32)25-10-5-6-11-12(9-10)19(30)26(18(11)29)13-7-8-16(27)24-17(13)28/h1-6,9,13,25H,7-8H2,(H,24,27,28)
InChIKey
RKAFYSIKAVFVPS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-(2,6-Dioxopiperidin-3-yl)-1,3-dioxoisoindolin-5-yl)-2-(trifluoromethoxy)benzenesulfonamide
CAS: 2765625-93-0
CID: 155925914
Formula: C20H14F3N3O7S
MW: 497.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight497.4
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Exact Mass497.05045545
Monoisotopic Mass497.05045545
Topological Polar Surface Area147 Ų
Heavy Atom Count34
Formal Charge0
Complexity981
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

Alternative Products

CatalogName
HY-132199-01SJ6986
TBI3933-5MGSJ6986, GSPT1 molecular glue

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