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CRBN ligand-494

CAT: 0013-GTR19276682-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19276682-01Size:50 mg
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Description
CRBN ligand-494 is an E3 ubiquitin ligase cereblon (CRBN) ligand designed to recruit cereblon proteins. It can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
2925093-42-9
Smiles
O=C1NC (=O) CCN1C2=CC=C (Br) C=3C=CN (C32) C
Molecular Formula
C13H12BrN3O2
Molecular Weight
322.16
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(4-bromo-1-methyl-1H-indol-7-yl)-1,3-diazinane-2,4-dione
CAS Number2925093-42-9
PubChem CID169548898
IUPAC Name1-(4-bromo-1-methylindol-7-yl)-1,3-diazinane-2,4-dione
Molecular FormulaC13H12BrN3O2
Molecular Weight322.16
XLogP1.4
Topological Polar Surface Area54.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity403
SMILES
CN1C=CC2=C(C=CC(=C21)N3CCC(=O)NC3=O)Br
InChI
InChI=1S/C13H12BrN3O2/c1-16-6-4-8-9(14)2-3-10(12(8)16)17-7-5-11(18)15-13(17)19/h2-4,6H,5,7H2,1H3,(H,15,18,19)
InChIKey
GJGLXJHMTPQNDJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-bromo-1-methyl-1H-indol-7-yl)-1,3-diazinane-2,4-dione
CAS: 2925093-42-9
CID: 169548898
Formula: C13H12BrN3O2
MW: 322.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight322.16
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass321.01129
Monoisotopic Mass321.01129
Topological Polar Surface Area54.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity403
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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