Activated cdc42 kinase 1 (TNK2)

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  1. Vemurafenib (PLX4032, RG7204), Serine/threonine-protein kinase B-raf inhibitor
    CAS: 918504-65-1 EC Number: 850-250-7 PubChem CID: 42611257 Formula: C23H18ClF2N3O3S Molecular Weight: 489.92
    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 #: V127521
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    IUPAC Name
    N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide
    SMILES
    CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)C4=CC=C(C=C4)Cl)F
    InChIKey
    GPXBXXGIAQBQNI-UHFFFAOYSA-N
    InChI
    1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,show more
    Synonyms
    1-Propanesulfonamide, N-(3-((5-(4-chlorophenyl)-1H-pyrrolo(2,3-b)pyridin-3-yl)carbonyl)-2,4-difluorophenyl)- | 207SMY...
  2. LarotrectinibFor, Inhibitor of neurotrophic receptor tyrosine kinase 1
    CAS: 1223403-58-4 EC Number: 826-190-2 Formula: C21H22F2N6O2 Molecular Weight: 428.4
    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 #: L172696
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    IUPAC Name
    (3S)-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxypyrrolidine-1-carboxamide
    SMILES
    C1CC(N(C1)C2=NC3=C(C=NN3C=C2)NC(=O)N4CCC(C4)O)C5=C(C=CC(=C5)F)F
    InChIKey
    NYNZQNWKBKUAII-KBXCAEBGSA-N
    InChI
    1S/C21H22F2N6O2/c22-13-3-4-16(23)15(10-13)18-2-1-7-28(18)19-6-9-29-20(26-19)17(11-24-29)25-21(31)27-8-5-14(30)12-27/h3-4,6,9-11,14,18,30H,1-2,5,7-8,12show more
    Synonyms
    NYNZQNWKBKUAII-KBXCAEBGSA-N | DB14723 | Q27081513 | ARRY470 | ARRY-470 | ARRY-470; larotrectinib | AS-35231 | Larotre...
  3. Osimertinib (AZD9291), Epidermal growth factor receptor erbB1 inhibitor
    CAS: 1421373-65-0 EC Number: 108-168-8 Formula: C28H33N7O2 Molecular Weight: 499.62
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99%
    In Stock Item #: A302849
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    IUPAC Name
    N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
    SMILES
    CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC
    InChIKey
    DUYJMQONPNNFPI-UHFFFAOYSA-N
    InChI
    1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15Hshow more
    Synonyms
    Mereletinib | AZD-9291
  4. AIM-100
    CAS: 873305-35-2 Formula: C23H21N3O2 Molecular Weight: 371.43
    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 #: A127060
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    IUPAC Name
    N-[[(2S)-oxolan-2-yl]methyl]-5,6-diphenylfuro[2,3-d]pyrimidin-4-amine
    SMILES
    C1CC(OC1)CNC2=C3C(=C(OC3=NC=N2)C4=CC=CC=C4)C5=CC=CC=C5
    InChIKey
    XNFHHOXCDUAYSR-SFHVURJKSA-N
    InChI
    1S/C23H21N3O2/c1-3-8-16(9-4-1)19-20-22(24-14-18-12-7-13-27-18)25-15-26-23(20)28-21(19)17-10-5-2-6-11-17/h1-6,8-11,15,18H,7,12-14H2,(H,24,25,26)/t18-/mshow more
    Synonyms
    5,6-Diphenyl-N-[[(2S)-tetrahydro-2-furanyl]methyl]furo[2,3-d]pyrimidin-4-amine | YJB30535 | MLS006010340 | N-[[(2S)-o...
  5. ASP3026, ALK tyrosine kinase receptor inhibitor
    CAS: 1097917-15-1 Formula: C29H40N8O3S Molecular Weight: 580.74
    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 #: A128022
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    IUPAC Name
    2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine
    SMILES
    CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=N2)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC
    InChIKey
    MGGBYMDAPCCKCT-UHFFFAOYSA-N
    InChI
    1S/C29H40N8O3S/c1-21(2)41(38,39)27-8-6-5-7-25(27)33-29-31-20-30-28(34-29)32-24-10-9-23(19-26(24)40-4)36-13-11-22(12-14-36)37-17-15-35(3)16-18-37/h5-10show more
    Synonyms
    F6O | SMR004702945 | UNII-HP4L6MXF10 | XTB91715 | NCGC00345791-01 | N2-(2-(isopropylsulfonyl)phenyl)-N4-(2-methoxy-4-...
  6. TAE684 (NVP-TAE684), Inhibitor of ALK receptor tyrosine kinase
    CAS: 761439-42-3 PubChem CID: 16038120 Formula: C30H40ClN7O3S Molecular Weight: 614.2
    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 #: T129819
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    IUPAC Name
    5-chloro-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
    SMILES
    CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC
    InChIKey
    QQWUGDVOUVUTOY-UHFFFAOYSA-N
    InChI
    1S/C30H40ClN7O3S/c1-21(2)42(39,40)28-8-6-5-7-26(28)33-29-24(31)20-32-30(35-29)34-25-10-9-23(19-27(25)41-4)37-13-11-22(12-14-37)38-17-15-36(3)16-18-38/show more
    Synonyms
    5-chloro-N2-[2-methoxy-4-[4-(4-methyl-1-pyperidinyl]-N4-[2-[(1-methylethyl)sulfonyl]phenyl]-2,4-Pyrimidinediamine | 5...
  7. XMD 8-87
    CAS: 1234480-46-6 PubChem CID: 53322923 Formula: C24H27N7O2 Molecular Weight: 445.52
    In Stock Item #: X286879
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    IUPAC Name
    2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-11-methyl-5H-pyrimido[4,5-b][1,4]benzodiazepin-6-one
    SMILES
    CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4)C)OC
    InChIKey
    LGLHCXISMKHLIK-UHFFFAOYSA-N
    InChI
    1S/C24H27N7O2/c1-29-10-12-31(13-11-29)16-8-9-18(21(14-16)33-3)27-24-25-15-19-22(28-24)30(2)20-7-5-4-6-17(20)23(32)26-19/h4-9,14-15H,10-13H2,1-3H3,(H,2show more
    Synonyms
    5,11-Dihydro-2-[[2-methoxy-4-(4-methyl-1-piperazinyl)phenyl]amino]-11-methyl-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one
  8. AIM-100
    CAS: 873305-35-2 Formula: C23H21N3O2 Molecular Weight: 371.43
    10mM in DMSO
    In Stock Item #: A426601
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    Technical Identifiers
    IUPAC Name
    N-[[(2S)-oxolan-2-yl]methyl]-5,6-diphenylfuro[2,3-d]pyrimidin-4-amine
    SMILES
    C1CC(OC1)CNC2=C3C(=C(OC3=NC=N2)C4=CC=CC=C4)C5=CC=CC=C5
    InChIKey
    XNFHHOXCDUAYSR-SFHVURJKSA-N
    InChI
    1S/C23H21N3O2/c1-3-8-16(9-4-1)19-20-22(24-14-18-12-7-13-27-18)25-15-26-23(20)28-21(19)17-10-5-2-6-11-17/h1-6,8-11,15,18H,7,12-14H2,(H,24,25,26)/t18-/mshow more
    Synonyms
    5,6-Diphenyl-N-[[(2S)-tetrahydro-2-furanyl]methyl]furo[2,3-d]pyrimidin-4-amine | YJB30535 | MLS006010340 | N-[[(2S)-o...
  9. ASP3026, ALK tyrosine kinase receptor inhibitor
    CAS: 1097917-15-1 Formula: C29H40N8O3S Molecular Weight: 580.74
    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 #: A420576
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    Technical Identifiers
    IUPAC Name
    2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine
    SMILES
    CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=N2)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC
    InChIKey
    MGGBYMDAPCCKCT-UHFFFAOYSA-N
    InChI
    1S/C29H40N8O3S/c1-21(2)41(38,39)27-8-6-5-7-25(27)33-29-31-20-30-28(34-29)32-24-10-9-23(19-26(24)40-4)36-13-11-22(12-14-36)37-17-15-35(3)16-18-37/h5-10show more
    Synonyms
    F6O | SMR004702945 | UNII-HP4L6MXF10 | XTB91715 | NCGC00345791-01 | N2-(2-(isopropylsulfonyl)phenyl)-N4-(2-methoxy-4-...
  10. LarotrectinibFor, Inhibitor of neurotrophic receptor tyrosine kinase 1
    CAS: 1223403-58-4 EC Number: 826-190-2 Formula: C21H22F2N6O2 Molecular Weight: 428.4
    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 #: L420963
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    Technical Identifiers
    IUPAC Name
    (3S)-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxypyrrolidine-1-carboxamide
    SMILES
    C1CC(N(C1)C2=NC3=C(C=NN3C=C2)NC(=O)N4CCC(C4)O)C5=C(C=CC(=C5)F)F
    InChIKey
    NYNZQNWKBKUAII-KBXCAEBGSA-N
    InChI
    1S/C21H22F2N6O2/c22-13-3-4-16(23)15(10-13)18-2-1-7-28(18)19-6-9-29-20(26-19)17(11-24-29)25-21(31)27-8-5-14(30)12-27/h3-4,6,9-11,14,18,30H,1-2,5,7-8,12show more
    Synonyms
    NYNZQNWKBKUAII-KBXCAEBGSA-N | DB14723 | Q27081513 | ARRY470 | ARRY-470 | ARRY-470; larotrectinib | AS-35231 | Larotre...
  11. NMS-E973
    CAS: 1253584-84-7 Formula: C22H22N4O7 Molecular Weight: 454.43
    In Stock Item #: N413731
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    Technical Identifiers
    IUPAC Name
    5-[2,4-dihydroxy-6-(4-nitrophenoxy)phenyl]-N-(1-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
    SMILES
    CN1CCC(CC1)NC(=O)C2=NOC(=C2)C3=C(C=C(C=C3OC4=CC=C(C=C4)[N+](=O)[O-])O)O
    InChIKey
    YLQODGGPIHWTHR-UHFFFAOYSA-N
    InChI
    1S/C22H22N4O7/c1-25-8-6-13(7-9-25)23-22(29)17-12-20(33-24-17)21-18(28)10-15(27)11-19(21)32-16-4-2-14(3-5-16)26(30)31/h2-5,10-13,27-28H,6-9H2,1H3,(H,23show more
    Synonyms
    BCP29502 | NCGC00386326-01 | AKOS027307871 | MS-28264 | A908739 | PD156195 | 5-[2,4-Dihydroxy-6-(4-nitrophenoxy)pheny...
  12. NMS-E973
    CAS: 1253584-84-7 Formula: C22H22N4O7 Molecular Weight: 454.43
    10mM in DMSO
    In Stock Item #: N421061
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    Pricing & Pack Sizes
    Technical Identifiers
    IUPAC Name
    5-[2,4-dihydroxy-6-(4-nitrophenoxy)phenyl]-N-(1-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
    SMILES
    CN1CCC(CC1)NC(=O)C2=NOC(=C2)C3=C(C=C(C=C3OC4=CC=C(C=C4)[N+](=O)[O-])O)O
    InChIKey
    YLQODGGPIHWTHR-UHFFFAOYSA-N
    InChI
    1S/C22H22N4O7/c1-25-8-6-13(7-9-25)23-22(29)17-12-20(33-24-17)21-18(28)10-15(27)11-19(21)32-16-4-2-14(3-5-16)26(30)31/h2-5,10-13,27-28H,6-9H2,1H3,(H,23show more
    Synonyms
    BCP29502 | NCGC00386326-01 | AKOS027307871 | MS-28264 | A908739 | PD156195 | 5-[2,4-Dihydroxy-6-(4-nitrophenoxy)pheny...
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