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Pomalidomide-COCH2Cl

CAT: 0804-HY-W391701-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W391701-01Size:100 mg
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Description
Pomalidomide-COCH2Cl is a derivative of Pomalidomide with an chloroacetamide group on the benzyl ring.
CAS Number
444287-84-7
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Ligands for E3 Ligase
Related Pathways
PROTAC
Field of Research
Cancer
Purity
97.0
Smiles
O=C(CCl)NC1=CC=CC(C(N2C3C(NC(CC3)=O)=O)=O)=C1C2=O
Molecular Formula
C15H12ClN3O5
Molecular Weight
349.73
Precautions
H302, H315, H319, H335
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-Chloro-N-(2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)acetamide
CAS Number444287-84-7
PubChem CID10154850
IUPAC Name2-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
Molecular FormulaC15H12ClN3O5
Molecular Weight349.72
XLogP0.7
Topological Polar Surface Area113
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity622
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)CCl
InChI
InChI=1S/C15H12ClN3O5/c16-6-11(21)17-8-3-1-2-7-12(8)15(24)19(14(7)23)9-4-5-10(20)18-13(9)22/h1-3,9H,4-6H2,(H,17,21)(H,18,20,22)
InChIKey
SVSMQAPPCVNXQW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloro-N-(2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)acetamide
CAS: 444287-84-7
CID: 10154850
Formula: C15H12ClN3O5
MW: 349.72
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight349.72
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass349.0465482
Monoisotopic Mass349.0465482
Topological Polar Surface Area113 Ų
Heavy Atom Count24
Formal Charge0
Complexity622
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