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GSPT1 degrader-2

CAT: 0931-T82253-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T82253-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2803879-60-7
Target
Others, Molecular Glues, DNA/RNA Synthesis
Related Pathways
DNA Damage/DNA Repair, PROTAC, Cell Cycle/Checkpoint, Others
Bioactivity
GSPT1 degrader-2 is a potent degrader of GSPT1 [1].
Smiles
O=C(OCC1=CC=C2C(=C1)C(=O)N(C2)C3C(=O)NC(=O)CC3)NC4=CC=C(C(Cl)=C4)C
Molecular Formula
C22H20ClN3O5
Molecular Weight
441.86
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

GSPT1 degrader-2
CAS Number2803879-60-7
PubChem CID164584234
IUPAC Name[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-(3-chloro-4-methylphenyl)carbamate
Molecular FormulaC22H20ClN3O5
Molecular Weight441.9
XLogP2.2
Topological Polar Surface Area105
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity747
SMILES
CC1=C(C=C(C=C1)NC(=O)OCC2=CC3=C(CN(C3=O)C4CCC(=O)NC4=O)C=C2)Cl
InChI
InChI=1S/C22H20ClN3O5/c1-12-2-5-15(9-17(12)23)24-22(30)31-11-13-3-4-14-10-26(21(29)16(14)8-13)18-6-7-19(27)25-20(18)28/h2-5,8-9,18H,6-7,10-11H2,1H3,(H,24,30)(H,25,27,28)
InChIKey
VCEJNBKFGYUOAV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of GSPT1 degrader-2
CAS: 2803879-60-7
CID: 164584234
Formula: C22H20ClN3O5
MW: 441.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight441.9
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass441.1091484
Monoisotopic Mass441.1091484
Topological Polar Surface Area105 Ų
Heavy Atom Count31
Formal Charge0
Complexity747
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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