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Compound CC50616

CAT: 0013-GTR19254074-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19254074-01Size:200 mg
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Description
Compound CC50616, with CAS No. 884507-31-7, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound CC50616 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.
CAS Number
884507-31-7
Field of Research
Pharmacology & Drug Discovery
Smiles
CC (C) (C) OC (=O) N1CCN (CC1) c1cc (ccn1) C#N
Molecular Formula
C15H20N4O2
Molecular Weight
288.3449
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tert-butyl 4-(4-cyanopyridin-2-yl)piperazine-1-carboxylate
CAS Number884507-31-7
PubChem CID18525852
IUPAC Nametert-butyl 4-(4-cyano-2-pyridinyl)piperazine-1-carboxylate
Molecular FormulaC15H20N4O2
Molecular Weight288.34
XLogP1.7
Topological Polar Surface Area69.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity415
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=CC(=C2)C#N
InChI
InChI=1S/C15H20N4O2/c1-15(2,3)21-14(20)19-8-6-18(7-9-19)13-10-12(11-16)4-5-17-13/h4-5,10H,6-9H2,1-3H3
InChIKey
SLBLBTKJSGRVTR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tert-butyl 4-(4-cyanopyridin-2-yl)piperazine-1-carboxylate
CAS: 884507-31-7
CID: 18525852
Formula: C15H20N4O2
MW: 288.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight288.34
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass288.15862589
Monoisotopic Mass288.15862589
Topological Polar Surface Area69.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity415
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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Alternative Products

CatalogName
TPL0462-01Compound CC50616
ALX-550-516-M025Compound A
XXC35825-01Compound 3a
Fr16729-01Compound Fr16729
PDK0296-01Compound PDK0296
PDK0264-01Compound PDK0264
Fr14090-01Compound Fr14090
Fr14018-01Compound Fr14018
Fr13991-01Compound Fr13991
Fr13830-01Compound Fr13830

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