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Pomalidomide-C2-Br

CAT: 0931-T203592-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T203592-02Size:50 mg
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CAS Number
2940940-74-7
Target
E3 Ligase Ligand-Linker Conjugate
Related Pathways
PROTAC
Bioactivity
Pomalidomide-C2-Br is a conjugate of an E3 ligase ligand and a linker. It is used in the synthesis of PROTACAR Degrader-8.
Smiles
O=C1NC(=O)C(N2C(=O)C=3C=CC=C(NCCBr)C3C2=O)CC1
Molecular Formula
C15H14BrN3O4
Molecular Weight
380.19
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Pomalidomide-C2-Br
CAS Number2940940-74-7
PubChem CID155292394
IUPAC Name4-(2-bromoethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Molecular FormulaC15H14BrN3O4
Molecular Weight380.19
XLogP1.6
Topological Polar Surface Area95.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity553
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCBr
InChI
InChI=1S/C15H14BrN3O4/c16-6-7-17-9-3-1-2-8-12(9)15(23)19(14(8)22)10-4-5-11(20)18-13(10)21/h1-3,10,17H,4-7H2,(H,18,20,21)
InChIKey
QKEVDEBXLPYMPG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pomalidomide-C2-Br
CAS: 2940940-74-7
CID: 155292394
Formula: C15H14BrN3O4
MW: 380.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.19
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass379.01677
Monoisotopic Mass379.01677
Topological Polar Surface Area95.6 Ų
Heavy Atom Count23
Formal Charge0
Complexity553
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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