Inhibitor of nuclear factor kappa-b kinase subunit epsilon (IKBKE)

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  1. ACHP
    CAS: 406208-42-2 Formula: C21H24N4O2 Molecular Weight: 364.44
    In Stock Item #: A288136
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    IUPAC Name
    2-amino-6-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile
    SMILES
    C1CC1COC2=CC=CC(=C2C3=NC(=C(C(=C3)C4CCNCC4)C#N)N)O
    InChIKey
    DYVFBWXIOCLHPP-UHFFFAOYSA-N
    InChI
    1S/C21H24N4O2/c22-11-16-15(14-6-8-24-9-7-14)10-17(25-21(16)23)20-18(26)2-1-3-19(20)27-12-13-4-5-13/h1-3,10,13-14,24,26H,4-9,12H2,(H2,23,25)
    Synonyms
    2-amino-6-(2-(cyclopropylmethoxy)-6-hydroxyphenyl)-4-(4-piperidinyl)-3-pyridine-carbonitrile | 2-amino-6-[2-(cyclopro...
  2. TBK1 PROTAC®3i, Inhibitor of TANK binding kinase 1
    CAS: 2052306-13-3 PubChem CID: 124108661 Formula: C53H74BrN9O9S Molecular Weight: 1093.19
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%(HPLC)
    Out of Stock Item #: T287400
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    IUPAC Name
    (2S,4R)-1-[(2S)-2-[[2-[3-[4-[3-[4-[[5-bromo-4-[3-[cyclobutanecarbonyl(methyl)amino]propylamino]pyrimidin-2-yl]amino]phenoxy]propoxy]butoxy]propoxy]aceshow more
    SMILES
    CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)COCCCOCCCCOCCCOC4=CC=C(C=C4)NC5=NC=C(C(=N5)NCCCN(C)C(=O)C6CCC6)Br)O
    InChIKey
    QMGHHBHPDDAGGO-IIWOMYBWSA-N
    InChI
    1S/C53H74BrN9O9S/c1-36-46(73-35-58-36)38-16-14-37(15-17-38)31-56-49(66)44-30-41(64)33-63(44)51(68)47(53(2,3)4)60-45(65)34-71-28-10-26-69-24-6-7-25-70-show more
    Synonyms
    (2S,4R)-1-((S)-18-(4-((5-Bromo-4-((3-(N-methylcyclobutanecarboxamido)propyl)amino)pyrimidin-2-yl)amino)phenoxy)-2-(te...
  3. GSK319347A
    CAS: 862812-98-4 Formula: C22H19N3O5S2 Molecular Weight: 469.53
    In Stock Item #: I274644
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    IUPAC Name
    5-(5,6-dimethoxybenzimidazol-1-yl)-3-[(2-methylsulfonylphenyl)methoxy]thiophene-2-carbonitrile
    SMILES
    COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C#N)OCC4=CC=CC=C4S(=O)(=O)C)OC
    InChIKey
    LDTAHRLHGHFHKP-UHFFFAOYSA-N
    InChI
    1S/C22H19N3O5S2/c1-28-17-8-15-16(9-18(17)29-2)25(13-24-15)22-10-19(20(11-23)31-22)30-12-14-6-4-5-7-21(14)32(3,26)27/h4-10,13H,12H2,1-3H3
    Synonyms
    benzimidazole-thiophene carbonitrile, 12e | CHEBI:91459 | IKK-3 Inhibitor | EINECS 211-880-2 | BRD-K51781482-001-02-1...
  4. Amlexanox, Phosphodiesterase 4 inhibitor
    CAS: 68302-57-8 EC Number: 804-135-3 Formula: C16H14N2O4 Molecular Weight: 298.29
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%(HPLC)
    In Stock Item #: A136009
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    IUPAC Name
    2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid
    SMILES
    CC(C)C1=CC2=C(C=C1)OC3=NC(=C(C=C3C2=O)C(=O)O)N
    InChIKey
    SGRYPYWGNKJSDL-UHFFFAOYSA-N
    InChI
    1S/C16H14N2O4/c1-7(2)8-3-4-12-9(5-8)13(19)10-6-11(16(20)21)14(17)18-15(10)22-12/h3-7H,1-2H3,(H2,17,18)(H,20,21)
    Synonyms
    AMLEXANOX (MART.) | CHX 3673 | OraDisc A | ANW | aphtheal | US10214536, Amlexanox | Amlexanox- Bio-X | 2-Amino-7-isop...
  5. BX-795, Inhibitor of 3-phosphoinositide dependent protein kinase 1;Inhibitor of aurora kinase B;Inhibitor of checkpoint kinase 1;Inhibitor of cyclin dependent kinase 2;Inhibitor of glycogen synthase kinase 3 beta;Inhibitor of inhibitor of nuclear factor kappa B k
    CAS: 702675-74-9 Formula: C23H26IN7O2S Molecular Weight: 591.47
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥97%
    In Stock Item #: B126947
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    IUPAC Name
    N-[3-[[5-iodo-4-[3-(thiophene-2-carbonylamino)propylamino]pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide
    SMILES
    C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I
    InChIKey
    VAVXGGRQQJZYBL-UHFFFAOYSA-N
    InChI
    1S/C23H26IN7O2S/c24-18-15-27-22(30-20(18)25-9-5-10-26-21(32)19-8-4-13-34-19)28-16-6-3-7-17(14-16)29-23(33)31-11-1-2-12-31/h3-4,6-8,13-15H,1-2,5,9-12H2show more
    Synonyms
    5-bromo-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione | AKOS016369934 | AS-16196...
  6. Amlexanox, Phosphodiesterase 4 inhibitor
    CAS: 68302-57-8 EC Number: 804-135-3 Formula: C16H14N2O4 Molecular Weight: 298.29
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
    In Stock Item #: A425434
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    IUPAC Name
    2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid
    SMILES
    CC(C)C1=CC2=C(C=C1)OC3=NC(=C(C=C3C2=O)C(=O)O)N
    InChIKey
    SGRYPYWGNKJSDL-UHFFFAOYSA-N
    InChI
    1S/C16H14N2O4/c1-7(2)8-3-4-12-9(5-8)13(19)10-6-11(16(20)21)14(17)18-15(10)22-12/h3-7H,1-2H3,(H2,17,18)(H,20,21)
    Synonyms
    amlexanox|68302-57-8|Amoxanox|Aphthasol|2-Amino-7-isopropyl-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid|Amlena...
  7. BAY-985, Inhibitor of fms related receptor tyrosine kinase 3;Inhibitor of inhibitor of nuclear factor kappa B kinase subunit epsilon;Inhibitor of ribosomal protein S6 kinase A6;Inhibitor of serine/threonine kinase 17a;Inhibitor of TANK binding kinase 1
    CAS: 2409479-29-2 Formula: C27H30F3N9O Molecular Weight: 553.58
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    In Stock Item #: B414279
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    IUPAC Name
    1-[4-[(1R)-1-[2-[[6-[6-(dimethylamino)pyrimidin-4-yl]-1H-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one
    SMILES
    CC(C1=CC(=NC=C1)NC2=NC3=C(N2)C=C(C=C3)C4=CC(=NC=N4)N(C)C)N5CCN(CC5)C(=O)CC(F)(F)F
    InChIKey
    HZRJHVDNTDBTOZ-QGZVFWFLSA-N
    InChI
    1S/C27H30F3N9O/c1-17(38-8-10-39(11-9-38)25(40)15-27(28,29)30)18-6-7-31-23(13-18)36-26-34-20-5-4-19(12-22(20)35-26)21-14-24(37(2)3)33-16-32-21/h4-7,12-show more
    Synonyms
    1-Propanone,1-[4-[(1R)-1-[2-[[6-[6-(dimethylamino)-4-pyrimidinyl]-1H-benzimidazol-2-yl]amino]-4-pyridinyl]ethyl]-1-pi...
  8. BX-795, Inhibitor of 3-phosphoinositide dependent protein kinase 1;Inhibitor of aurora kinase B;Inhibitor of checkpoint kinase 1;Inhibitor of cyclin dependent kinase 2;Inhibitor of glycogen synthase kinase 3 beta;Inhibitor of inhibitor of nuclear factor kappa B k
    CAS: 702675-74-9 Formula: C23H26IN7O2S Molecular Weight: 591.47
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
    In Stock Item #: B408917
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    Synonyms
    N-(3-(5-iodo-4-(3-(thiophene-2-carboxamido)propylamino)pyrimidin-2-ylamino)phenyl)pyrrolidine-1-carboxamide
  9. CAY10575
    CAS: 916985-21-2 Formula: C22H21N3O6S2 Molecular Weight: 487.54
    Out of Stock Item #: C276149
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    IUPAC Name
    5-(5,6-dimethoxybenzimidazol-1-yl)-3-[(4-methylsulfonylphenyl)methoxy]thiophene-2-carboxamide
    SMILES
    COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=C(C=C4)S(=O)(=O)C)OC
    InChIKey
    YYZTVTZCYVZGRB-UHFFFAOYSA-N
    InChI
    1S/C22H21N3O6S2/c1-29-17-8-15-16(9-18(17)30-2)25(12-24-15)20-10-19(21(32-20)22(23)26)31-11-13-4-6-14(7-5-13)33(3,27)28/h4-10,12H,11H2,1-3H3,(H2,23,26)
    Synonyms
    CAY 10575 | HMS3229L15 | 5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-[(4-methanesulfonylphenyl)methoxy]thiophene-2-ca...
  10. GSK8612, Inhibitor of inhibitor of nuclear factor kappa B kinase subunit epsilon;Inhibitor of TANK binding kinase 1
    CAS: 2361659-62-1 Formula: C17H17BrF3N7O2S Molecular Weight: 520.33
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
    In Stock Item #: G422771
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    IUPAC Name
    4-[[[5-bromo-2-[[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]benzenesulfonamide
    SMILES
    CC1=NN(C=C1NC2=NC=C(C(=N2)NCC3=CC=C(C=C3)S(=O)(=O)N)Br)CC(F)(F)F
    InChIKey
    FFPHMUIGESPOTK-UHFFFAOYSA-N
    InChI
    1S/C17H17BrF3N7O2S/c1-10-14(8-28(27-10)9-17(19,20)21)25-16-24-7-13(18)15(26-16)23-6-11-2-4-12(5-3-11)31(22,29)30/h2-5,7-8H,6,9H2,1H3,(H2,22,29,30)(H2,show more
    Synonyms
    Benzenesulfonamide,4-​[[[5-​bromo-​2-​[[3-​methyl-​1-​(2,​2,​2-​trifluoroethyl)​-​1H-​pyrazol-​4-​yl]​amino]​-​4-​pyr...
  11. GSK8612, Inhibitor of inhibitor of nuclear factor kappa B kinase subunit epsilon;Inhibitor of TANK binding kinase 1
    CAS: 2361659-62-1 Formula: C17H17BrF3N7O2S Molecular Weight: 520.33
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    In Stock Item #: G414233
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    Technical Identifiers
    IUPAC Name
    4-[[[5-bromo-2-[[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]benzenesulfonamide
    SMILES
    CC1=NN(C=C1NC2=NC=C(C(=N2)NCC3=CC=C(C=C3)S(=O)(=O)N)Br)CC(F)(F)F
    InChIKey
    FFPHMUIGESPOTK-UHFFFAOYSA-N
    InChI
    1S/C17H17BrF3N7O2S/c1-10-14(8-28(27-10)9-17(19,20)21)25-16-24-7-13(18)15(26-16)23-6-11-2-4-12(5-3-11)31(22,29)30/h2-5,7-8H,6,9H2,1H3,(H2,22,29,30)(H2,show more
  12. GSK8612, Inhibitor of inhibitor of nuclear factor kappa B kinase subunit epsilon;Inhibitor of TANK binding kinase 1
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
    Out of Stock Item #: G610731
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    IUPAC Name
    4-{[(5-bromo-2-{[3-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)amino]methyl}benzene-1-sulfonamide
    SMILES
    Brc1cnc(nc1NCc1ccc(cc1)S(=O)(=O)N)Nc1cn(nc1C)CC(F)(F)F
    InChIKey
    FFPHMUIGESPOTK-UHFFFAOYSA-N
    InChI
    1S/C17H17BrF3N7O2S/c1-10-14(8-28(27-10)9-17(19,20)21)25-16-24-7-13(18)15(26-16)23-6-11-2-4-12(5-3-11)31(22,29)30/h2-5,7-8H,6,9H2,1H3,(H2,22,29,30)(H2,show more
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