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3-Azathalidomide

CAT: 0013-GTR19258491-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19258491-01Size:10 mg
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Description
3-Azathalidomide is a thalidomide analogue that can be utilized in PROTAC research.
CAS Number
31804-66-7
Field of Research
Pharmacology & Drug Discovery
Smiles
O=C1NC (=O) C (N2C (=O) C3=NC=CC=C3C2=O) CC1
Molecular Formula
C12H9N3O4
Molecular Weight
259.218
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-{5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}piperidine-2,6-dione
CAS Number31804-66-7
PubChem CID134960
IUPAC Name6-(2,6-dioxopiperidin-3-yl)pyrrolo[3,4-b]pyridine-5,7-dione
Molecular FormulaC12H9N3O4
Molecular Weight259.22
XLogP-0.6
Topological Polar Surface Area96.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity476
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)N=CC=C3
InChI
InChI=1S/C12H9N3O4/c16-8-4-3-7(10(17)14-8)15-11(18)6-2-1-5-13-9(6)12(15)19/h1-2,5,7H,3-4H2,(H,14,16,17)
InChIKey
QQNDEDWAPQTWHF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-{5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}piperidine-2,6-dione
CAS: 31804-66-7
CID: 134960
Formula: C12H9N3O4
MW: 259.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight259.22
XLogP3-0.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass259.05930578
Monoisotopic Mass259.05930578
Topological Polar Surface Area96.4 Ų
Heavy Atom Count19
Formal Charge0
Complexity476
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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Alternative Products

CatalogName
HY-W0466853-Azathalidomide
HY-W9982683-Azathalidomide-piperazine
PC68253,3,3-Trifluoropropyl 3,3,3-trifluoropropanoate
PC7820FJ-013- (3,3,3-Trifluoropropyl) heptamethyltrisiloxane
PDC53711-013- (3,3,3-Trifluoropropoxy) piperidine
290533-013,3,3-Trifluoropropyne
sc-2611323,3,3-Trifluoropropylamine
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