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4-Azide-TFP-amide-SS-propionic acid

CAT: 0931-TYD-01961-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TYD-01961-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
191163-45-8
Bioactivity
4-Azide-TFP-amide-SS-propionic acid contains an aryl azide, a cleavable disulfide bond, and a carboxylic acid. The aryl azide can be photoactivated by ultraviolet light (250 to 350 nm) to bind with biomolecules. Fluorine helps stabilize radical intermediates. The carboxylic acid can react with amines in the presence of an activating agent to form an amide bond. The disulfide bond can be cleaved by a reducing agent.
Smiles
[N-]=[N+]=NC1=C(F)C(F)=C(C(=O)NCCSSCCC(=O)O)C(F)=C1F
Molecular Formula
C12H10F4N4O3S2
Molecular Weight
398.356
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-Azide-TFP-Amide-SS-propionic acid
CAS Number191163-45-8
PubChem CID15333906
IUPAC Name3-[2-[(4-azido-2,3,5,6-tetrafluorobenzoyl)amino]ethyldisulfanyl]propanoic acid
Molecular FormulaC12H10F4N4O3S2
Molecular Weight398.4
XLogP2.7
Topological Polar Surface Area131
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Heavy Atom Count25
Formal Charge0
Complexity511
SMILES
C(CSSCCNC(=O)C1=C(C(=C(C(=C1F)F)N=[N+]=[N-])F)F)C(=O)O
InChI
InChI=1S/C12H10F4N4O3S2/c13-7-6(8(14)10(16)11(9(7)15)19-20-17)12(23)18-2-4-25-24-3-1-5(21)22/h1-4H2,(H,18,23)(H,21,22)
InChIKey
WGVMMTKVRGZTAV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Azide-TFP-Amide-SS-propionic acid
CAS: 191163-45-8
CID: 15333906
Formula: C12H10F4N4O3S2
MW: 398.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.4
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Exact Mass398.01304519
Monoisotopic Mass398.01304519
Topological Polar Surface Area131 Ų
Heavy Atom Count25
Formal Charge0
Complexity511
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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BIPG2165-014-Azide-TFP-Amide-SS-propionic acid
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