Cyclin-dependent kinase 12 (CDK12)

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  1. 1NM-PP1
    CAS: 221244-14-0 PubChem CID: 5154691 Formula: C20H21N5 Molecular Weight: 331.41
    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 #: P341313
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    IUPAC Name
    1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
    SMILES
    CC(C)(C)N1C2=NC=NC(=C2C(=N1)CC3=CC=CC4=CC=CC=C43)N
    InChIKey
    GDQXJQSQYMMKRA-UHFFFAOYSA-N
    InChI
    1S/C20H21N5/c1-20(2,3)25-19-17(18(21)22-12-23-19)16(24-25)11-14-9-6-8-13-7-4-5-10-15(13)14/h4-10,12H,11H2,1-3H3,(H2,21,22,23)
    Synonyms
    MLS001065852 | SR-01000781016 | HMS3648M20 | Mutant Kinases Inhibitor II | SCHEMBL1964002 | EX-A868 | SMR000486341 | ...
  2. (S)-CR8, Inhibitor of cyclin dependent kinase 1;Inhibitor of cyclin dependent kinase 5;Inhibitor of dual specificity tyrosine phosphorylation regulated kinase 1A
    CAS: 1084893-56-0 Formula: C24H29N7O Molecular Weight: 431.53
    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 #: C275643
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    IUPAC Name
    (2S)-2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]butan-1-ol
    SMILES
    CCC(CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=C(C=C3)C4=CC=CC=N4
    InChIKey
    HOCBJBNQIQQQGT-IBGZPJMESA-N
    InChI
    1S/C24H29N7O/c1-4-19(14-32)28-24-29-22(21-23(30-24)31(15-27-21)16(2)3)26-13-17-8-10-18(11-9-17)20-7-5-6-12-25-20/h5-12,15-16,19,32H,4,13-14H2,1-3H3,(Hshow more
    Synonyms
    (2S)-2-[[9-isopropyl-6-[[4-(2-pyridyl)phenyl]methylamino]purin-2-yl]amino]butan-1-ol | (S)-CR8 | CR8, (S)-Isomer | (2...
  3. Cdk/Crk inhibitor, Inhibitor of cyclin dependent kinase 6;Inhibitor of cyclin dependent kinase 7;Inhibitor of glycogen synthase kinase 3 beta
    CAS: 784211-09-2 Formula: C23H22Cl2N4O3 Molecular Weight: 473.4
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥95%
    Out of Stock Item #: C336669
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    IUPAC Name
    1-(2,6-dichlorophenyl)-6-[[4-(2-hydroxyethoxy)phenyl]methyl]-3-propan-2-yl-5H-pyrazolo[3,4-d]pyrimidin-4-one
    SMILES
    CC(C)C1=NN(C2=C1C(=O)NC(=N2)CC3=CC=C(C=C3)OCCO)C4=C(C=CC=C4Cl)Cl
    InChIKey
    RSQPNXBTPUXMQN-UHFFFAOYSA-N
    InChI
    1S/C23H22Cl2N4O3/c1-13(2)20-19-22(29(28-20)21-16(24)4-3-5-17(21)25)26-18(27-23(19)31)12-14-6-8-15(9-7-14)32-11-10-30/h3-9,13,30H,10-12H2,1-2H3,(H,26,2show more
    Synonyms
    Q27075833 | SCHEMBL1179657 | Prednidib | HMS3229E20 | DTXSID60429556 | 1-(2,6-dichlorophenyl)-6-{[4-(2-hydroxyethoxy)...
  4. PP1 Analog II, 1NM-PP1
    CAS: 221244-14-0 PubChem CID: 5154691 Formula: C20H21N5 Molecular Weight: 331.41
    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 #: P422651
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    IUPAC Name
    1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
    SMILES
    CC(C)(C)N1C2=NC=NC(=C2C(=N1)CC3=CC=CC4=CC=CC=C43)N
    InChIKey
    GDQXJQSQYMMKRA-UHFFFAOYSA-N
    InChI
    1S/C20H21N5/c1-20(2,3)25-19-17(18(21)22-12-23-19)16(24-25)11-14-9-6-8-13-7-4-5-10-15(13)14/h4-10,12H,11H2,1-3H3,(H2,21,22,23)
    Synonyms
    MLS001065852 | SR-01000781016 | HMS3648M20 | Mutant Kinases Inhibitor II | SCHEMBL1964002 | EX-A868 | SMR000486341 | ...
  5. SR 3029
    CAS: 1454585-06-8 PubChem CID: 60196195 Formula: C23H19F3N8O Molecular Weight: 480.45
    10mM in DMSO
    In Stock Item #: S421676
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    IUPAC Name
    N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-(3-fluorophenyl)-2-morpholin-4-ylpurin-6-amine
    SMILES
    C1COCCN1C2=NC(=C3C(=N2)N(C=N3)C4=CC(=CC=C4)F)NCC5=NC6=C(N5)C=CC(=C6F)F
    InChIKey
    CEBMEQPREMCWOL-UHFFFAOYSA-N
    InChI
    1S/C23H19F3N8O/c24-13-2-1-3-14(10-13)34-12-28-20-21(31-23(32-22(20)34)33-6-8-35-9-7-33)27-11-17-29-16-5-4-15(25)18(26)19(16)30-17/h1-5,10,12H,6-9,11H2show more
    Synonyms
    N-((6,7-Difluoro-1H-benzo[d]imidazol-2-yl)methyl)-9-(3-fluorophenyl)-2-morpholino-9H-purin-6-amine
  6. SR-4835
    CAS: 2387704-62-1 Formula: C21H20Cl2N10O Molecular Weight: 499.36
    10mM in DMSO
    In Stock Item #: S422796
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    Technical Identifiers
    Synonyms
    9H-​Purin-​6-​amine,N-​[(5,​6-​dichloro-​1H-​benzimidazol-​2-​yl)​methyl]​-​9-​(1-​methyl-​1H-​pyrazol-​4-​yl)​-​2-​(4-...
  7. SR 3029
    CAS: 1454585-06-8 PubChem CID: 60196195 Formula: C23H19F3N8O Molecular Weight: 480.45
    In Stock Item #: S287827
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    Technical Identifiers
    IUPAC Name
    N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-(3-fluorophenyl)-2-morpholin-4-ylpurin-6-amine
    SMILES
    C1COCCN1C2=NC(=C3C(=N2)N(C=N3)C4=CC(=CC=C4)F)NCC5=NC6=C(N5)C=CC(=C6F)F
    InChIKey
    CEBMEQPREMCWOL-UHFFFAOYSA-N
    InChI
    1S/C23H19F3N8O/c24-13-2-1-3-14(10-13)34-12-28-20-21(31-23(32-22(20)34)33-6-8-35-9-7-33)27-11-17-29-16-5-4-15(25)18(26)19(16)30-17/h1-5,10,12H,6-9,11H2show more
    Synonyms
    N-((6,7-Difluoro-1H-benzo[d]imidazol-2-yl)methyl)-9-(3-fluorophenyl)-2-morpholino-9H-purin-6-amine
  8. SR-4835
    CAS: 2387704-62-1 Formula: C21H20Cl2N10O Molecular Weight: 499.36
    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 #: S414251
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    IUPAC Name
    N-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]-9-(1-methylpyrazol-4-yl)-2-morpholin-4-ylpurin-6-amine
    SMILES
    CN1C=C(C=N1)N2C=NC3=C(N=C(N=C32)N4CCOCC4)NCC5=NC6=CC(=C(C=C6N5)Cl)Cl
    InChIKey
    FSELUFUYNUNZKD-UHFFFAOYSA-N
    InChI
    1S/C21H20Cl2N10O/c1-31-10-12(8-26-31)33-11-25-18-19(29-21(30-20(18)33)32-2-4-34-5-3-32)24-9-17-27-15-6-13(22)14(23)7-16(15)28-17/h6-8,10-11H,2-5,9H2,1show more
    Synonyms
    9H-​Purin-​6-​amine,N-​[(5,​6-​dichloro-​1H-​benzimidazol-​2-​yl)​methyl]​-​9-​(1-​methyl-​1H-​pyrazol-​4-​yl)​-​2-​(4-...
  9. THZ1, Inhibitor of cyclin dependent kinase 7
    CAS: 1604810-83-4 PubChem CID: 73602827 Formula: C31H28ClN7O2 Molecular Weight: 566.05
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥96%
    In Stock Item #: T413778
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    IUPAC Name
    N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide
    SMILES
    CN(C)CC=CC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)C4=CNC5=CC=CC=C54)Cl
    InChIKey
    OBJNFLYHUXWUPF-IZZDOVSWSA-N
    InChI
    1S/C31H28ClN7O2/c1-39(2)16-6-11-28(40)35-21-14-12-20(13-15-21)30(41)36-22-7-5-8-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-10-4-3-9-24(25)27/h3-1show more
    Synonyms
    N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide | ...
  10. THZ531
    CAS: 1702809-17-3 EC Number: 959-488-7 PubChem CID: 118025540 Formula: C30H32ClN7O2 Molecular Weight: 558.07
    10mM in DMSO
    In Stock Item #: T422100
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    Technical Identifiers
    IUPAC Name
    (E)-N-[4-[(3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidine-1-carbonyl]phenyl]-4-(dimethylamino)but-2-enamide
    SMILES
    CN(C)CC=CC(=O)NC1=CC=C(C=C1)C(=O)N2CCCC(C2)NC3=NC=C(C(=N3)C4=CNC5=CC=CC=C54)Cl
    InChIKey
    RUBYHLPRZRMTJO-MOVYNIQHSA-N
    InChI
    1S/C30H32ClN7O2/c1-37(2)15-6-10-27(39)34-21-13-11-20(12-14-21)29(40)38-16-5-7-22(19-38)35-30-33-18-25(31)28(36-30)24-17-32-26-9-4-3-8-23(24)26/h3-4,6,show more
    Synonyms
    2-​Butenamide,N-​[4-​[[(3R)​-​3-​[[5-​chloro-​4-​(1H-​indol-​3-​yl)​-​2-​pyrimidinyl]​amino]​-​1-​piperidinyl]​carbon...
  11. THZ531
    CAS: 1702809-17-3 EC Number: 959-488-7 PubChem CID: 118025540 Formula: C30H32ClN7O2 Molecular Weight: 558.07
    In Stock Item #: T413537
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    Technical Identifiers
    IUPAC Name
    (E)-N-[4-[(3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidine-1-carbonyl]phenyl]-4-(dimethylamino)but-2-enamide
    SMILES
    CN(C)CC=CC(=O)NC1=CC=C(C=C1)C(=O)N2CCCC(C2)NC3=NC=C(C(=N3)C4=CNC5=CC=CC=C54)Cl
    InChIKey
    RUBYHLPRZRMTJO-MOVYNIQHSA-N
    InChI
    1S/C30H32ClN7O2/c1-37(2)15-6-10-27(39)34-21-13-11-20(12-14-21)29(40)38-16-5-7-22(19-38)35-30-33-18-25(31)28(36-30)24-17-32-26-9-4-3-8-23(24)26/h3-4,6,show more
    Synonyms
    2-​Butenamide,N-​[4-​[[(3R)​-​3-​[[5-​chloro-​4-​(1H-​indol-​3-​yl)​-​2-​pyrimidinyl]​amino]​-​1-​piperidinyl]​carbon...
  12. UNC0064-12 (VEGFR-2-IN-5)
    CAS: 1430089-64-7 PubChem CID: 90369695 Formula: C19H24N8 Molecular Weight: 364.45
    In Stock Item #: U412241
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    IUPAC Name
    2-N-[4-(3-aminopropylamino)phenyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
    SMILES
    C1CC1C2=CC(=NN2)NC3=NC(=NC=C3)NC4=CC=C(C=C4)NCCCN
    InChIKey
    UYYZTTPXKIYERF-UHFFFAOYSA-N
    InChI
    1S/C19H24N8/c20-9-1-10-21-14-4-6-15(7-5-14)23-19-22-11-8-17(25-19)24-18-12-16(26-27-18)13-2-3-13/h4-8,11-13,21H,1-3,9-10,20H2,(H3,22,23,24,25,26,27)
    Synonyms
    2,4-Pyrimidinediamine with linker | 2, 4-Pyrimidinediamine with linker
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