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N3-Pen-Dtpp

CAT: 0804-HY-151725Size: 1 EachDry Ice: NoHazardous: No
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Description
N3-Pen-Dtpp is a click chemistry reagent containing an azide group. It contains an azide group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing alkyne groups. It can also undergo ring strain-promoted alkyne-azide cycloaddition (SPAAC) with molecules containing DBCO or BCN groups.
CAS Number
1867129-42-7
UNSPSC
12352005
Target
ADC Linker
Type
Reference compound
Related Pathways
Antibody-drug Conjugate/ADC Related
Applications
Cancer-programmed cell death
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/n3-pen-dtpp.html
Solubility
10 mM in DMSO
Smiles
[N-]=[N+]=NCCCC/C(O)=C1C(N(C)C(N(C)C/1=O)=O)=O
Molecular Formula
C11H15N5O4
Molecular Weight
281.27
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

N3-Pen-Dtpp
CAS Number1867129-42-7
PubChem CID162420862
IUPAC Name5-(5-azidopentanoyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
Molecular FormulaC11H15N5O4
Molecular Weight281.27
XLogP1.2
Topological Polar Surface Area92.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count20
Formal Charge0
Complexity521
SMILES
CN1C(=C(C(=O)N(C1=O)C)C(=O)CCCCN=[N+]=[N-])O
InChI
InChI=1S/C11H15N5O4/c1-15-9(18)8(10(19)16(2)11(15)20)7(17)5-3-4-6-13-14-12/h18H,3-6H2,1-2H3
InChIKey
ZYDYGNXJSVZCSR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N3-Pen-Dtpp
CAS: 1867129-42-7
CID: 162420862
Formula: C11H15N5O4
MW: 281.27
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight281.27
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass281.11240398
Monoisotopic Mass281.11240398
Topological Polar Surface Area92.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity521
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