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CRBN ligand-734

CAT: 0013-GTR19275306-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19275306-01Size:10 mg
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Description
CRBN ligand-734 is a ligand for the E3 ubiquitin ligase cereblon (CRBN) that facilitates the recruitment of cereblon proteins. It can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
2654830-24-5
Smiles
O=C1NC (=O) CCN1C2=NN (C=3C=C (I) C (F) =CC23) C
Molecular Formula
C12H10FIN4O2
Molecular Weight
388.14
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(5-Fluoro-6-iodo-1-methyl-1H-indazol-3-yl)dihydropyrimidine-2,4(1H,3H)-dione
CAS Number2654830-24-5
PubChem CID156505763
IUPAC Name1-(5-fluoro-6-iodo-1-methylindazol-3-yl)-1,3-diazinane-2,4-dione
Molecular FormulaC12H10FIN4O2
Molecular Weight388.14
XLogP1.3
Topological Polar Surface Area67.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity438
SMILES
CN1C2=CC(=C(C=C2C(=N1)N3CCC(=O)NC3=O)F)I
InChI
InChI=1S/C12H10FIN4O2/c1-17-9-5-8(14)7(13)4-6(9)11(16-17)18-3-2-10(19)15-12(18)20/h4-5H,2-3H2,1H3,(H,15,19,20)
InChIKey
STQSJZDQMLVVTN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(5-Fluoro-6-iodo-1-methyl-1H-indazol-3-yl)dihydropyrimidine-2,4(1H,3H)-dione
CAS: 2654830-24-5
CID: 156505763
Formula: C12H10FIN4O2
MW: 388.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.14
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass387.98325
Monoisotopic Mass387.98325
Topological Polar Surface Area67.2 Ų
Heavy Atom Count20
Formal Charge0
Complexity438
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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