menu
    • menu

    methyl 3-((3S)-7-bromo-2-((2-hydroxypropyl)amino)-5-(pyridin-2-yl)-3H-benzo[e][1,4]diazepin-3-yl)propanoate manufacturers and suppliers on PharmaCompass

    Interquim comes from an international group of 50 companies active in the pharma, hospital, diagnostics, fine chemicals & feed sectors.

    Virtual Booth

    Contact Supplier

    Rusan Pharma: Over 30 years of specializing in the treatment of Addiction and Pain Management.

    Virtual Booth

    Contact Supplier

    xyz-pharma-m-2024-10-07

    Virtual Booth

    Contact Supplier

    Sharp is a global leader in pharmaceutical packaging and clinical trial supply services.

    Virtual Booth

    Contact Supplier

    Aspen API. More than just an API.

    Virtual Booth

    Contact Supplier

    xyz-pharma-m-2024-10-07

    Virtual Booth

    Contact Supplier

    BUILDING BLOCK

    PharmaCompass

    Chemistry

    Click the arrow to open the dropdown
    read-moreClick the button for full data set
    read-moreClick the button for full data set
    Also known as: 308243-54-1, Schembl13862617
    Molecular Formula
    C21H23BrN4O3
    Molecular Weight
    459.3  g/mol
    InChI Key
    ZISFDJGDMKFNGL-UWBLVGDVSA-N
    methyl 3-((3S)-7-bromo-2-((2-hydroxypropyl)amino)-5-(pyridin-2-yl)-3H-benzo[e][1,4]diazepin-3-yl)propanoate
    1 2D Structure

    methyl 3-((3S)-7-bromo-2-((2-hydroxypropyl)amino)-5-(pyridin-2-yl)-3H-benzo[e][1,4]diazepin-3-yl)propanoate

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl 3-[(3S)-7-bromo-2-(2-hydroxypropylimino)-5-pyridin-2-yl-1,3-dihydro-1,4-benzodiazepin-3-yl]propanoate
    2.1.2 InChI
    InChI=1S/C21H23BrN4O3/c1-13(27)12-24-21-18(8-9-19(28)29-2)25-20(17-5-3-4-10-23-17)15-11-14(22)6-7-16(15)26-21/h3-7,10-11,13,18,27H,8-9,12H2,1-2H3,(H,24,26)/t13?,18-/m0/s1
    2.1.3 InChI Key
    ZISFDJGDMKFNGL-UWBLVGDVSA-N
    2.1.4 Canonical SMILES
    CC(CN=C1C(N=C(C2=C(N1)C=CC(=C2)Br)C3=CC=CC=N3)CCC(=O)OC)O
    2.1.5 Isomeric SMILES
    CC(CN=C1[C@@H](N=C(C2=C(N1)C=CC(=C2)Br)C3=CC=CC=N3)CCC(=O)OC)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 308243-54-1

    2. Schembl13862617

    2.3 Create Date
    2019-01-21
    3 Chemical and Physical Properties
    Molecular Weight 459.3 g/mol
    Molecular Formula C21H23BrN4O3
    XLogP32.4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count7
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area96.2
    Heavy Atom Count29
    Formal Charge0
    Complexity627
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

    Upload your portfolio for free, ask us

    END USE APIs

    read-more
    read-more
    Ask Us for Pharmaceutical Supplier and Partner
    Ask Us, Find A Supplier / Partner
    No Commissions, No Strings Attached, Get Connected for FREE

    What are you looking for?

    How can we help you?

    The request can't be empty

    Please read our Privacy Policy carefully

    You must agree to the privacy policy

    The name can't be empty
    The company can't be empty.
    The email can't be empty Please enter a valid email.
    The mobile can't be empty

    Market Place

    Market Place

    PharmaCompass

    Home

    Market Place

    Menu

    Post Enquiry

    Post Enquiry

    Market Place

    Market Place

    Search