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    MBX 2982

    DEVELOPMENTS

    PharmaCompass
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    2D Structure
    Also known as: Mbx-2982, 1037792-44-1, Mbx2982, 2-[1-(5-ethylpyrimidin-2-yl)-4-piperidyl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]thiazole, B5try67l51, Chembl3260505
    Molecular Formula
    C22H24N8OS
    Molecular Weight
    448.5  g/mol
    InChI Key
    NFTMKHWBOINJGM-UHFFFAOYSA-N
    FDA UNII
    B5TRY67L51
    MBX-2982 has been used in trials studying the treatment of Diabetes.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole
    2.1.2 InChI
    InChI=1S/C22H24N8OS/c1-2-16-11-23-22(24-12-16)29-9-7-17(8-10-29)21-26-18(14-32-21)13-31-20-5-3-19(4-6-20)30-15-25-27-28-30/h3-6,11-12,14-15,17H,2,7-10,13H2,1H3
    2.1.3 InChI Key
    NFTMKHWBOINJGM-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCC1=CN=C(N=C1)N2CCC(CC2)C3=NC(=CS3)COC4=CC=C(C=C4)N5C=NN=N5
    2.2 Other Identifiers
    2.2.1 UNII
    B5TRY67L51
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Mbx-2982

    2.3.2 Depositor-Supplied Synonyms

    1. Mbx-2982

    2. 1037792-44-1

    3. Mbx2982

    4. 2-[1-(5-ethylpyrimidin-2-yl)-4-piperidyl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]thiazole

    5. B5try67l51

    6. Chembl3260505

    7. 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole

    8. Pyrimidine, 5-ethyl-2-(4-(4-((4-(1h-tetrazol-1-yl)phenoxy)methyl)-2-thiazolyl)-1-piperidinyl)-

    9. Mbx 2982

    10. Unii-b5try67l51

    11. Cs-0745

    12. Schembl1118326

    13. Gtpl10166

    14. Dtxsid20146055

    15. Hms3747k07

    16. Amy39989

    17. Bcp04581

    18. Ex-a1003

    19. Bdbm50013909

    20. Mfcd22628771

    21. Zinc73069252

    22. Akos025405273

    23. Bcp9000011

    24. Db12345

    25. Pb15589

    26. Sar-260093

    27. Ncgc00378849-03

    28. Ac-28445

    29. Hy-15291

    30. Mbx2982 / Mbx-2982

    31. Bcp0726000038

    32. J-690013

    33. Q27274408

    34. 4-((4-(1h-tetrazol-1-yl)phenyl1h-tetrazol-1-yl)phenoxy)methyl)-2-(1-(5-ethylpyrimidin-2-yl)piperidin-4-yl)thiazole

    35. 5-ethyl-2-[4-[4-[[[4-(1h-tetrazol-1-yl)phenyl]oxy]methyl]thiazol-2-yl]piperidin-1-yl]pyrimidine

    2.4 Create Date
    2008-11-17
    3 Chemical and Physical Properties
    Molecular Weight 448.5 g/mol
    Molecular Formula C22H24N8OS
    XLogP33.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count7
    Exact Mass448.17937859 g/mol
    Monoisotopic Mass448.17937859 g/mol
    Topological Polar Surface Area123 Ų
    Heavy Atom Count32
    Formal Charge0
    Complexity564
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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