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Compound PDK0230

CAT: 0931-PDK0230-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-PDK0230-02Size:10 mg
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CAS Number
4774-22-5
Bioactivity
Compound PDK0230, with CAS No. 4774-22-5, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound PDK0230 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
O=C1CNCC(=O)N1
Molecular Formula
C4H6N2O2
Molecular Weight
114.1
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Piperazine-2,6-dione

See also: Piperazin-2,6-dione (annotation moved to).

CAS Number4774-22-5
PubChem CID338690
IUPAC Namepiperazine-2,6-dione
Molecular FormulaC4H6N2O2
Molecular Weight114.10
XLogP-1.3
Topological Polar Surface Area58.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity118
SMILES
C1C(=O)NC(=O)CN1
InChI
InChI=1S/C4H6N2O2/c7-3-1-5-2-4(8)6-3/h5H,1-2H2,(H,6,7,8)
InChIKey
CYJAWBVQRMVFEO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Piperazine-2,6-dione
CAS: 4774-22-5
CID: 338690
Formula: C4H6N2O2
MW: 114.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight114.10
XLogP3-1.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass114.042927438
Monoisotopic Mass114.042927438
Topological Polar Surface Area58.2 Ų
Heavy Atom Count8
Formal Charge0
Complexity118
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

Related Products

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PDK0330-01Compound PDK0330
PDK0260-01Compound PDK0260
PDK0250-01Compound PDK0250
PDK0280-01Compound PDK0280
PDK0220-01Compound PDK0220

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