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CS-W001157 4
Total: USD 88.00

5-(4-methylpiperazin-1-ylsulfonyl)-1H-indole

  • CAS No. 519148-72-2

  • Cat. No. CS-0003914
  • Molecule weight279.36
  • Purity≥98%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

5-(4-methylpiperazin-1-ylsulfonyl)-1H-indole|CS-0003914

Structure of 519148-72-2

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General Information

  • CAS No. 519148-72-2
  • Cat. No. CS-0003914
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₇N₃O₂S
  • Molecular Weight 279.36
  • Synonym(s) None
  • SMILES O=S(N1CCN(C)CC1)(C2=CC=C3NC=CC3=C2)=O

Synthesis

  • Route1
    • 5-(4-methylpiperazin-1-ylsulfonyl)indoline|CS-0003913
      519148-71-1
    • ~96%
    • 5-(4-methylpiperazin-1-ylsulfonyl)-1H-indole|CS-0003914
      519148-72-2

    References

    • Fraley, Mark E.; Arrington, Kenneth L.; Buser, Carolyn A.; Ciecko, Patrice A.; Coll, Kathleen E.; Fernandes, Christine; Hartman, George D.; Hoffman, William F.; Lynch, Joseph J.; McFall, Rosemary C.; Rickert, Keith; Singh, Romi; Smith, Sheri; Thomas, Kenneth A.; Wong, Bradley K. Bioorganic and Medicinal Chemistry Letters, 2004 , vol. 14, # 2 p. 351 - 355
  • Route2

    References

    • Fraley, Mark E.; Arrington, Kenneth L.; Buser, Carolyn A.; Ciecko, Patrice A.; Coll, Kathleen E.; Fernandes, Christine; Hartman, George D.; Hoffman, William F.; Lynch, Joseph J.; McFall, Rosemary C.; Rickert, Keith; Singh, Romi; Smith, Sheri; Thomas, Kenneth A.; Wong, Bradley K. Bioorganic and Medicinal Chemistry Letters, 2004 , vol. 14, # 2 p. 351 - 355
  • Route3
    • 1-(2,3-Dihydroindol-1-yl)-2,2,2-trifluoroethanone|CS-0003911
      90732-28-8
    • ~%
    • 5-(4-methylpiperazin-1-ylsulfonyl)-1H-indole|CS-0003914
      519148-72-2

    References

    • Fraley, Mark E.; Arrington, Kenneth L.; Buser, Carolyn A.; Ciecko, Patrice A.; Coll, Kathleen E.; Fernandes, Christine; Hartman, George D.; Hoffman, William F.; Lynch, Joseph J.; McFall, Rosemary C.; Rickert, Keith; Singh, Romi; Smith, Sheri; Thomas, Kenneth A.; Wong, Bradley K. Bioorganic and Medicinal Chemistry Letters, 2004 , vol. 14, # 2 p. 351 - 355

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   56.41
  • LogP   1.104
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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