Please Wait
Applying Filters...
menu
    • menu
    LGM Pharma accelerates & optimizes the new product pathway from early development through commercialization.

    Virtual Booth

    Contact Supplier

    Munit offers scalable GMP micronization and particle size engineering to enhance drug solubility, bioavailability, and performance.

    Virtual Booth

    Contact Supplier

    pharmacompass-1-m-2025-11-03

    Virtual Booth

    An Enquiry

    Mission CDMO team brings reliability, resourcefulness, & responsiveness in executing your development project.

    Virtual Booth

    Contact Supplier

    Jai Radhe Sales is your partner for all your sourcing needs.

    Virtual Booth

    Contact Supplier

    pharmacompass-2-m-2025-11-03

    Virtual Booth

    An Enquiry

    Menu

    Rad51-IN-2

    DEVELOPMENTS

    PharmaCompass
    Xls

    Filters

    clear-filterReset all filters
    2D Structure
    Also known as: B7am3x83zo, 2301085-04-9, Unii-b7am3x83zo, Carbamic acid, n-(3-(((1,1-dimethylethyl)amino)sulfonyl)-4-(2-(trans-4-(((1-methylethoxy)carbonyl)amino)cyclohexyl)-5-thiazolyl)phenyl)-, 1-methylethyl ester, Emzadirib, Carbamic acid, n-[3-[[(1,1-dimethylethyl)amino]sulfonyl]-4-[2-[trans-4-[[(1-methylethoxy)carbonyl]amino]cyclohexyl]-5-thiazolyl]phenyl]-, 1-methylethyl ester
    Molecular Formula
    C27H40N4O6S2
    Molecular Weight
    580.8  g/mol
    InChI Key
    OVXFEICGTUUFPE-UHFFFAOYSA-N
    FDA UNII
    B7AM3X83ZO
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    propan-2-yl N-[3-(tert-butylsulfamoyl)-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate
    2.1.2 InChI
    InChI=1S/C27H40N4O6S2/c1-16(2)36-25(32)29-19-10-8-18(9-11-19)24-28-15-22(38-24)21-13-12-20(30-26(33)37-17(3)4)14-23(21)39(34,35)31-27(5,6)7/h12-19,31H,8-11H2,1-7H3,(H,29,32)(H,30,33)
    2.1.3 InChI Key
    OVXFEICGTUUFPE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)OC(=O)NC1CCC(CC1)C2=NC=C(S2)C3=C(C=C(C=C3)NC(=O)OC(C)C)S(=O)(=O)NC(C)(C)C
    2.2 Other Identifiers
    2.2.1 UNII
    B7AM3X83ZO
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. B7am3x83zo

    2. 2301085-04-9

    3. Unii-b7am3x83zo

    4. Carbamic Acid, N-(3-(((1,1-dimethylethyl)amino)sulfonyl)-4-(2-(trans-4-(((1-methylethoxy)carbonyl)amino)cyclohexyl)-5-thiazolyl)phenyl)-, 1-methylethyl Ester

    5. Emzadirib

    6. Carbamic Acid, N-[3-[[(1,1-dimethylethyl)amino]sulfonyl]-4-[2-[trans-4-[[(1-methylethoxy)carbonyl]amino]cyclohexyl]-5-thiazolyl]phenyl]-, 1-methylethyl Ester

    7. Emzadirib [usan]

    8. Schembl20789147

    9. Schembl20789150

    10. Schembl20789280

    11. Schembl20807298

    12. Schembl20809820

    13. Cyt0851

    14. Cyt 0851 [who-dd]

    15. Cyt-0851

    16. Akos040736545

    17. Ms-30423

    18. Hy-111887

    19. Cs-0093346

    20. 1-methylethyl N-[3-[[(1,1-dimethylethyl)amino]sulfonyl]-4-[2-[trans-4-[[(1-methylethoxy)carbonyl]amino]cyclohexyl]-5-thiazolyl]phenyl]carbamate

    2.4 Create Date
    2019-03-23
    3 Chemical and Physical Properties
    Molecular Weight 580.8 g/mol
    Molecular Formula C27H40N4O6S2
    XLogP34.8
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count11
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area172
    Heavy Atom Count39
    Formal Charge0
    Complexity926
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1