COMT

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  1. Opicapone, Catechol O-methyltransferase inhibitor
    CAS: 923287-50-7 Formula: C15H10Cl2N4O6 Molecular Weight: 413.17
    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 — US warehouse, ships to EU* Item #: O356703
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    IUPAC Name
    5-[3-(2,5-dichloro-4,6-dimethyl-1-oxidopyridin-1-ium-3-yl)-1,2,4-oxadiazol-5-yl]-3-nitrobenzene-1,2-diol
    SMILES
    CC1=C(C(=[N+](C(=C1Cl)C)[O-])Cl)C2=NOC(=N2)C3=CC(=C(C(=C3)O)O)[N+](=O)[O-]
    InChIKey
    ASOADIZOVZTJSR-UHFFFAOYSA-N
    InChI
    1S/C15H10Cl2N4O6/c1-5-10(13(17)20(24)6(2)11(5)16)14-18-15(27-19-14)7-3-8(21(25)26)12(23)9(22)4-7/h3-4,22-23H,1-2H3
    Synonyms
    5-[3-(2,5-dichloro-4,6-dimethyl-1-oxidopyridin-1-ium-3-yl)-1,2,4-oxadiazol-5-yl]-3-nitrobenzene-1,2-diol | compound 3...
  2. Entacapone, Catechol O-methyltransferase inhibitor
    CAS: 130929-57-6 EC Number: 603-449-6 Formula: C14H15N3O5 Molecular Weight: 305.29
    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 — US warehouse, ships to EU* Item #: E125270
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    IUPAC Name
    (E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide
    SMILES
    CCN(CC)C(=O)C(=CC1=CC(=C(C(=C1)O)O)[N+](=O)[O-])C#N
    InChIKey
    JRURYQJSLYLRLN-BJMVGYQFSA-N
    InChI
    1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3/b10-5+
    Synonyms
    (2E)-2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethyl-2-propenamide | 2-Cyano-N,N-diethyl-3-(3,4-dihydroxy-5-nitro...
  3. Flopropione
    CAS: 2295-58-1 EC Number: 218-942-8 Formula: C9H10O4 Molecular Weight: 182.17
    ● In Stock — US warehouse, ships to EU* Item #: F129636
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    IUPAC Name
    1-(2,4,6-trihydroxyphenyl)propan-1-one
    SMILES
    CCC(=O)C1=C(C=C(C=C1O)O)O
    InChIKey
    PTHLEKANMPKYDB-UHFFFAOYSA-N
    InChI
    1S/C9H10O4/c1-2-6(11)9-7(12)3-5(10)4-8(9)13/h3-4,10,12-13H,2H2,1H3
    Synonyms
    13907 R.P. | FLOPROPIONE [INN] | propanoyl-phloroglucinol | Labrodax | 05V5NVB5Y1 | KBio2_001043 | Pharmakon1600-0150...
  4. U-0521
    CAS: 5466-89-7 PubChem CID: 21632 Formula: C10H12O3 Molecular Weight: 180.20
    ● In Stock — US warehouse, ships to EU* Item #: U344159
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    IUPAC Name
    1-(3,4-dihydroxyphenyl)-2-methylpropan-1-one
    SMILES
    CC(C)C(=O)C1=CC(=C(C=C1)O)O
    InChIKey
    VDQLKIBLTMPAHI-UHFFFAOYSA-N
    InChI
    1S/C10H12O3/c1-6(2)10(13)7-3-4-8(11)9(12)5-7/h3-6,11-12H,1-2H3
    Synonyms
    3',4'-Dihydroxyisobutyrophenone | U 0521 | NSC 27389 | HMS2765J17 | MLS000738074 | 1-(3,4-Dihydroxy-phenyl)-2-methyl-...
  5. 5-Hydroxytryptamine, Agonist of 5-HT 1A receptor;Agonist of 5-HT 1B receptor;Agonist of 5-HT 1D receptor;Agonist of 5-ht 1e receptor;Agonist of 5-HT 1F receptor;Agonist of 5-HT 2A receptor;Agonist of 5-HT 2B receptor;Agonist of 5-HT 2C receptor;Agonist of 5-HT 3A;Agonist of 5
    CAS: 50-67-9 EC Number: 200-058-9 Formula: C10H12N2O Molecular Weight: 176.22
    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%(HPLC)
    ◐ .Made to order · 8–12 wks Item #: H303833
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    IUPAC Name
    3-(2-aminoethyl)-1H-indol-5-ol
    SMILES
    C1=CC2=C(C=C1O)C(=CN2)CCN
    InChIKey
    QZAYGJVTTNCVMB-UHFFFAOYSA-N
    InChI
    1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
    Synonyms
    5-HT | 3-(b-Aminoethyl)-5-hydroxyindole | 5 Hydroxytryptamine | Serotonin | 3-(.beta.-Aminoethyl)-5-hydroxyindole | 3...
  6. Rosmarinic acid
    CAS: 20283-92-5 EC Number: 606-487-1 PubChem CID: 5281792 Formula: C18H16O8 Molecular Weight: 360.31
    Solid ≥97%
    ● In Stock — US warehouse, ships to EU* Item #: R109805
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    IUPAC Name
    (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid
    SMILES
    OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c2ccc(O)c(O)c2
    InChIKey
    DOUMFZQKYFQNTF-WUTVXBCWSA-N
    InChI
    1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1
    Synonyms
    (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid | (2R)-3-(3,4-dihydroxyphen...
  7. Rosmarinic acid
    CAS: 20283-92-5 EC Number: 606-487-1 PubChem CID: 5281792 Formula: C18H16O8 Molecular Weight: 360.31
    Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. ≥97%
    ● In Stock — US warehouse, ships to EU* Item #: R109804
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    IUPAC Name
    (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid
    SMILES
    OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c2ccc(O)c(O)c2
    InChIKey
    DOUMFZQKYFQNTF-WUTVXBCWSA-N
    InChI
    1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1
    Synonyms
    (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid | (2R)-3-(3,4-dihydroxyphen...
  8. Serotonin hydrochloride
    CAS: 153-98-0 EC Number: 628-480-2 PubChem CID: 160436 Formula: C10H12N2O·HCl Molecular Weight: 212.68
    Solid AR ? Analytical Reagent grade — high-purity chemicals meeting strict assay limits for lab analysis. Use when accuracy matters and trace impurities could skew results. Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
    ● In Stock — US warehouse, ships to EU* Item #: S111161
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    IUPAC Name
    3-(2-aminoethyl)-1H-indol-5-ol;hydrochloride
    SMILES
    C1=CC2=C(C=C1O)C(=CN2)CCN.Cl
    InChIKey
    MDIGAZPGKJFIAH-UHFFFAOYSA-N
    InChI
    1S/C10H12N2O.ClH/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10;/h1-2,5-6,12-13H,3-4,11H2;1H
    Synonyms
    5-HT hydrochloride | CHEBI:181195 | SR-01000075577-1 | 5-HT HCl | 5-hydroxy tryptamine hydrochloride | A809482 | MFCD...
  9. Tolcapone, Catechol O-methyltransferase inhibitor
    CAS: 134308-13-7 EC Number: 694-343-9 PubChem CID: 4659569 Formula: C14H11NO5 Molecular Weight: 273.24
    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 — US warehouse, ships to EU* Item #: T125285
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    IUPAC Name
    (3,4-dihydroxy-5-nitrophenyl)-(4-methylphenyl)methanone
    SMILES
    CC1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]
    InChIKey
    MIQPIUSUKVNLNT-UHFFFAOYSA-N
    InChI
    1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3
    Synonyms
    NCGC00181767-02 | 5-[(4-METHYLPHENYL)CARBONYL]-3-NITROBENZENE-1,2-DIOL | C07949 | TOLCAPONE (USP MONOGRAPH) | N04BX01...
  10. OR-486
    CAS: 7659-29-2 EC Number: 642-347-6 Formula: C6H4N2O6 Molecular Weight: 200.11
    ● In Stock — US warehouse, ships to EU* Item #: O287664
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    IUPAC Name
    3,5-dinitrobenzene-1,2-diol
    SMILES
    C1=C(C=C(C(=C1[N+](=O)[O-])O)O)[N+](=O)[O-]
    InChIKey
    VDCDWNDTNSWDFJ-UHFFFAOYSA-N
    InChI
    1S/C6H4N2O6/c9-5-2-3(7(11)12)1-4(6(5)10)8(13)14/h1-2,9-10H
    Synonyms
    3,5-Dinitropyrocatechol | HMS3372N08 | SMR000326837 | OR486 | OR-486 | NCGC00261162-01 | KBio2_003235 | NCGC00015309-...
  11. (4-Hydroxy-3-methoxy-5-nitrophenyl)(p-tolyl)methanone
    CAS: 134612-80-9 Formula: C15H13NO5 Molecular Weight: 287.27
    ◐ .Made to order · 8–12 wks Item #: H190633
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    IUPAC Name
    (4-hydroxy-3-methoxy-5-nitrophenyl)-(4-methylphenyl)methanone
    SMILES
    CC1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)OC)O)[N+](=O)[O-]
    InChIKey
    VCNSNEJUGBEWTA-UHFFFAOYSA-N
    InChI
    1S/C15H13NO5/c1-9-3-5-10(6-4-9)14(17)11-7-12(16(19)20)15(18)13(8-11)21-2/h3-8,18H,1-2H3
    Synonyms
    AKOS025146460 | HY-100642 | FT-0672265 | UNII-F90Q84HN93 | 4-Hydroxy-3-methoxy-4'-methyl-5-nitrobenzophenone | C72371...
  12. (-)-Gallocatechin gallate (GCG)
    CAS: 4233-96-9 EC Number: 636-979-1 Formula: C22H18O11 Molecular Weight: 458.37
    Solid Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
    ● In Stock — US warehouse, ships to EU* Item #: G106898
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    IUPAC Name
    [(2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
    SMILES
    C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
    InChIKey
    WMBWREPUVVBILR-NQIIRXRSSA-N
    InChI
    1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21+/m1/s1
    Synonyms
    (-)-Gallocatechin 3-O-gallate | CCRIS 9286 | (-)-Gallocatechin gallate | Q27166763 | AKOS015901852 | NVP-XAA 225 | A8...
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Frequently Asked Questions

How is the COMT listing put together?
It draws on reported COMT annotations within Neuronal Signaling and lists each compound with its structure, identifiers, and the activity published for it. Always check the underlying assay before comparing potency values across entries.
How do I choose a COMT modulator for my assay?
Start from the assay format and readout — biochemical, cell-based, or in vivo — then compare the COMT entries on potency, selectivity over related family members, and solubility in your vehicle. Where several chemotypes are available, a reference compound plus a structurally unrelated backup is the usual way to control for off-target effects.
Which specifications matter most for COMT compounds?
Purity and identity confirmation come first, then solubility in DMSO or your chosen vehicle, recommended storage temperature, and stability in solution. For COMT work in particular, freshly prepared stocks avoid most of the reproducibility problems seen with stored plates. All products are supplied for professional research and development use only, and are not for use in humans, animals, diagnostics, or therapy.
What if the COMT compound I need is not listed?
Search by CAS number or SMILES first, since analogs of COMT compounds are often catalogued under a related target. Custom synthesis and bulk enquiries go to [email protected]. We supply verified businesses, research institutions, universities, and government agencies.

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