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Thienodiazepines

Description:

Heteropolycyclic containing a thiophene ring fused to a diazepine ring. Thiophene is 5-membered ring consisting of four carbon and one sulfur atoms. Diazepine is a 7-membered ring consisting of five carbon and two nitrogen atoms.

Ancestors:

Organic compounds ⮕ Organoheterocyclic compounds ⮕ Thienodiazepines

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  1. Deschloroetizolam
    Deschloroetizolam
    CAS: 40054-73-7 PubChem CID: 827322
    ≥99%
    Out of Stock Item #: D1006973
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    Technical Identifiers
    IUPAC Name
    4-ethyl-13-methyl-7-phenyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene
    SMILES
    CCC1=CC2=C(S1)N3C(=NN=C3CN=C2C4=CC=CC=C4)C
    InChIKey
    JIOBORXCOGMHSV-UHFFFAOYSA-N
    InChI
    1S/C17H16N4S/c1-3-13-9-14-16(12-7-5-4-6-8-12)18-10-15-20-19-11(2)21(15)17(14)22-13/h4-9H,3,10H2,1-2H3
  2. Bentazepam
    Bentazepam
    CAS: 29462-18-8 PubChem CID: 135412795 Formula: C17H16N2OS Molecular Weight: 296.39
    Out of Stock Item #: B1361627
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    IUPAC Name
    5-phenyl-1,3,6,7,8,9-hexahydro-[1]benzothiolo[2,3-e][1,4]diazepin-2-one
    SMILES
    C1CCC2=C(C1)C3=C(S2)NC(=O)CN=C3C4=CC=CC=C4
    InChIKey
    AIZFEOPQVZBNGH-UHFFFAOYSA-N
    InChI
    1S/C17H16N2OS/c20-14-10-18-16(11-6-2-1-3-7-11)15-12-8-4-5-9-13(12)21-17(15)19-14/h1-3,6-7H,4-5,8-10H2,(H,19,20)
  3. 2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetamide
    2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetamide
    CAS: 202591-23-9 PubChem CID: 19704953 Formula: C19H18ClN5OS Molecular Weight: 399.9
    Out of Stock Item #: C1036923
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    Technical Identifiers
    IUPAC Name
    2-[7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetamide
    SMILES
    CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)N)C4=CC=C(C=C4)Cl)C
    InChIKey
    QECMENZMDBOLDR-UHFFFAOYSA-N
    InChI
    1S/C19H18ClN5OS/c1-9-10(2)27-19-16(9)17(12-4-6-13(20)7-5-12)22-14(8-15(21)26)18-24-23-11(3)25(18)19/h4-7,14H,8H2,1-3H3,(H2,21,26)
  4. MS417 - ≥99% CAS No(916489-36-6) by Aladdin Scientific
    MS417 (GTPL7512)
    CAS: 916489-36-6 PubChem CID: 59190723 Formula: C20H19ClN4O2S Molecular Weight: 414.91
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99%
    Out of Stock Item #: M650658
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    IUPAC Name
    methyl 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetate
    SMILES
    CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)OC)C4=CC=C(C=C4)Cl)C
    InChIKey
    GGRCIHACOIMRKY-HNNXBMFYSA-N
    InChI
    1S/C20H19ClN4O2S/c1-10-11(2)28-20-17(10)18(13-5-7-14(21)8-6-13)22-15(9-16(26)27-4)19-24-23-12(3)25(19)20/h5-8,15H,9H2,1-4H3/t15-/m0/s1
    Synonyms
    Methyl (S)-2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate
  5. no_selection
    bepafant
    CAS: 114776-28-2 PubChem CID: 65923 Formula: C23H22ClN5O2S Molecular Weight: 467.97
    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 #: B607999
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    IUPAC Name
    [9-(2-chlorophenyl)-3-methyl-16-thia-2,4,5,8-tetrazatetracyclo[8.6.0.02,6.011,15]hexadeca-1(10),3,5,8,11(15)-pentaen-13-yl]-morpholin-4-ylmethanone
    SMILES
    CC1=NN=C2N1C3=C(C4=C(S3)CC(C4)C(=O)N5CCOCC5)C(=NC2)C6=CC=CC=C6Cl
    InChIKey
    FWYVRZOREBYLCY-UHFFFAOYSA-N
    InChI
    1S/C23H22ClN5O2S/c1-13-26-27-19-12-25-21(15-4-2-3-5-17(15)24)20-16-10-14(11-18(16)32-23(20)29(13)19)22(30)28-6-8-31-9-7-28/h2-5,14H,6-12H2,1H3
    Synonyms
    Bepafant [INN] | 6-(2-chlorophenyl)-1-methyl-8,9-dihydro-4H,7H-cyclopenta[4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4...
  6. TEN-010
    TEN-010
    CAS: 1349719-98-7 Formula: C27H34ClN7OS Molecular Weight: 540.12
    Solid 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 #: T614378
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    Technical Identifiers
    IUPAC Name
    2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[3-(4-methylpiperazin-1show more
    SMILES
    CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)NCCCN4CCN(CC4)C)C5=CC=C(C=C5)Cl)C
    InChIKey
    PKQXLRYFPSZKDU-QFIPXVFZSA-N
    InChI
    1S/C27H34ClN7OS/c1-17-18(2)37-27-24(17)25(20-6-8-21(28)9-7-20)30-22(26-32-31-19(3)35(26)27)16-23(36)29-10-5-11-34-14-12-33(4)13-15-34/h6-9,22H,5,10-16show more
    Synonyms
    JQ-35, (S)- | TA3QN7788D | (S)-JQ35 | (S)-JQ-35 | 1349719-98-7 | Bet inhibitor TEN-010 | RO6870810 | Ro-6870810 | TEN...
  7. no_selection
    israpafant
    CAS: 117279-73-9 PubChem CID: 119175
    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 #: I611196
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    IUPAC Name
    7-(2-chlorophenyl)-9,13-dimethyl-4-[2-[4-(2-methylpropyl)phenyl]ethyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene
    SMILES
    CC1C2=NN=C(N2C3=C(C=C(S3)CCC4=CC=C(C=C4)CC(C)C)C(=N1)C5=CC=CC=C5Cl)C
    InChIKey
    RMSWMRJVUJSDGN-UHFFFAOYSA-N
    InChI
    1S/C28H29ClN4S/c1-17(2)15-21-11-9-20(10-12-21)13-14-22-16-24-26(23-7-5-6-8-25(23)29)30-18(3)27-32-31-19(4)33(27)28(24)34-22/h5-12,16-18H,13-15H2,1-4H3
    Synonyms
    NCGC00183008-01 | DTXSID5020312 | AKOS040748599 | 4-(2-chlorophenyl)-6,9-dimethyl-2-{2-[4-(2-methylpropyl)phenyl]ethy...
  8. no_selection
    [³H]apafant
    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 #: H614057
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    Technical Identifiers
    IUPAC Name
    3-[7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-4-yl]-1-(morpholin-4-yl)propan-1-one
    SMILES
    O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl
    InChIKey
    JGPJQFOROWSRRS-UHFFFAOYSA-N
    InChI
    1S/C22H22ClN5O2S/c1-14-25-26-19-13-24-21(16-4-2-3-5-18(16)23)17-12-15(31-22(17)28(14)19)6-7-20(29)27-8-10-30-11-9-27/h2-5,12H,6-11,13H2,1H3
    Synonyms
    DTXCID5028900 | HMS3268N16 | NCGC00092377-04 | PDSP1_000669 | 4-[3-[4[(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,...
  9. no_selection
    MS417
    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 #: M612089
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    Technical Identifiers
    SMILES
    COC(=O)C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)sc(c2C)C
    InChIKey
    GGRCIHACOIMRKY-HNNXBMFYSA-N
    InChI
    1S/C20H19ClN4O2S/c1-10-11(2)28-20-17(10)18(13-5-7-14(21)8-6-13)22-15(9-16(26)27-4)19-24-23-12(3)25(19)20/h5-8,15H,9H2,1-4H3/t15-/m0/s1
  10. BN 50739 - , used for , CAS No. B608171, by Aladdin Scientific
    BN 50739
    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 #: B608171
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    Technical Identifiers
    IUPAC Name
    9-(2-chlorophenyl)-14-{2-[(3,4-dimethoxyphenyl)sulfanyl]ethanethioyl}-3-methyl-17-thia-2,4,5,8,14-pentaazatetracyclo[8.7.0.0^{2,6}.0^{11,16}]heptadecashow more
    SMILES
    COc1ccc(cc1OC)SCC(=S)N1CCc2c(C1)sc1c2C(=NCc2n1c(C)nn2)c1ccccc1Cl
    InChIKey
    MRVWRDZEYURFSW-UHFFFAOYSA-N
    InChI
    1S/C28H26ClN5O2S3/c1-16-31-32-24-13-30-27(18-6-4-5-7-20(18)29)26-19-10-11-33(14-23(19)39-28(26)34(16)24)25(37)15-38-17-8-9-21(35-2)22(12-17)36-3/h4-9,show more
    Synonyms
    GTPL1851 | 4H-Pyrido(4',3':4,5)thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine, 6-(2-chlorophenyl)-9-(2-((3,4-dimet...
  11. (+)-JQ1 - ≥98%(HPLC) CAS No(1268524-70-4) by Aladdin Scientific
    (+)-JQ1
    CAS: 1268524-70-4 EC Number: 194-338-7 Formula: C23H25ClN4O2S Molecular Weight: 456.99
    Solid ≥98%(HPLC)
    In Stock Item #: J166817
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    Technical Identifiers
    IUPAC Name
    tert-butyl 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetate
    SMILES
    CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C
    InChIKey
    DNVXATUJJDPFDM-KRWDZBQOSA-N
    InChI
    1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1
    Synonyms
    Tox21_303984 | (6S)-4-(4-Chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetic ...
  12. OTX015
    OTX015
    CAS: 202590-98-5 Formula: C25H22ClN5O2S Molecular Weight: 491.99
    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 #: O422463
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    Technical Identifiers
    IUPAC Name
    2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-(4-hydroxyphenyl)acetamshow more
    SMILES
    CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C
    InChIKey
    GNMUEVRJHCWKTO-FQEVSTJZSA-N
    InChI
    1S/C25H22ClN5O2S/c1-13-14(2)34-25-22(13)23(16-4-6-17(26)7-5-16)28-20(24-30-29-15(3)31(24)25)12-21(33)27-18-8-10-19(32)11-9-18/h4-11,20,32H,12H2,1-3H3,show more
    Synonyms
    2-((6S)-4-(4-CHLOROPHENYL)-2,3,9-TRIMETHYL-6H-THIENO(3,2- F)(1,2,4)TRIAZOLO(4,3-A)(1,4)DIAZEPIN-6-YL)- N-(4-HYDROXYPH...
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