COMT

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  1. (-)-Gallocatechin gallate
    CAS: 4233-96-9 EC Number: 636-979-1 Formula: C22H18O11 Molecular Weight: 458.37
    ◐ .Made to order · 8–12 wks Item #: G106899
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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
    GCG | (-)-Gallocatechin 3-O-gallate | CCRIS 9286 | (-)-Gallocatechin gallate | Q27166763 | AKOS015901852 | NVP-XAA 22...
  2. (-)-Gallocatechin gallate
    CAS: 4233-96-9 EC Number: 636-979-1 Formula: C22H18O11 Molecular Weight: 458.37
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: G423917
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    Technical Identifiers
    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...
  3. Flopropione
    CAS: 2295-58-1 EC Number: 218-942-8 Formula: C9H10O4 Molecular Weight: 182.17
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: F422731
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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. Rosmarinic acid
    CAS: 20283-92-5 EC Number: 606-487-1 PubChem CID: 5281792 Formula: C18H16O8 Molecular Weight: 360.31
    Liquid 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: R422467
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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
    rosmarinic acid|20283-92-5|Rosemary acid|Labiatenic acid|Rosmarinicacid|Labiatic acid|(R)-rosmarinic acid|trans-Rosma...
  5. Serotonin hydrochloride
    CAS: 153-98-0 EC Number: 628-480-2 PubChem CID: 160436 Formula: C10H12N2O·HCl Molecular Weight: 212.68
    10mM in DMSO
    ◐ .Made to order · 8–12 wks Item #: S421830
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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 | 5-HT hydrochloride | CHEBI:181195 | SR-01000075577-1 | 5-HT HCl | 5-hydroxy tryptamine hydrochloride | A809482...
  6. 3-Methoxy-L-tyrosine monohydrate
    CAS: 200630-46-2 PubChem CID: 46782236 Formula: C10H15NO5
    powder
    ◐ .Made to order · 8–12 wks Item #: M476428
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    Technical Identifiers
    IUPAC Name
    (2S)-2-amino-3-(4-hydroxy-3-methoxyphenyl)propanoic acid;hydrate
    SMILES
    COC1=C(C=CC(=C1)CC(C(=O)O)N)O.O
    InChIKey
    IDRRCKUGGXLORG-FJXQXJEOSA-N
    InChI
    1S/C10H13NO4.H2O/c1-15-9-5-6(2-3-8(9)12)4-7(11)10(13)14;/h2-3,5,7,12H,4,11H2,1H3,(H,13,14);1H2/t7-;/m0./s1
    Synonyms
    3-Methoxy Tyrosine Monohydrate | 3-Methoxy-L-tyrosine monohydrate | 3-OMD | MFCD00150495 | 3-Methoxy-L-tyrosine monoh...
  7. 5-Hydroxyferulic acid
    CAS: 1782-55-4 EC Number: 803-254-8 PubChem CID: 446834 Formula: C10H10O5 Molecular Weight: 210.18
    ◐ .Made to order · 8–12 wks Item #: H649625
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    Technical Identifiers
    IUPAC Name
    (E)-3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoic acid
    SMILES
    COC1=CC(=CC(=C1O)O)C=CC(=O)O
    InChIKey
    YFXWTVLDSKSYLW-NSCUHMNNSA-N
    InChI
    1S/C10H10O5/c1-15-8-5-6(2-3-9(12)13)4-7(11)10(8)14/h2-5,11,14H,1H3,(H,12,13)/b3-2+
    Synonyms
    SR-01000597542-1 | (2E)-3-(3,4-Dihydroxy-5-methoxyphenyl)-2-propenoic acid | 3-(3,4-dihydroxy-5-methoxyphenyl)acrylic...
  8. Nebicapone, Catechol O-methyltransferase inhibitor
    CAS: 274925-86-9 PubChem CID: 9838389 Formula: C14H11NO5 Molecular Weight: 273.24
    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%
    ◐ .Made to order · 8–12 wks Item #: N651551
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    IUPAC Name
    1-(3,4-dihydroxy-5-nitrophenyl)-2-phenylethanone
    SMILES
    C1=CC=C(C=C1)CC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]
    InChIKey
    MRFOLGFFTUGAEB-UHFFFAOYSA-N
    InChI
    1S/C14H11NO5/c16-12(6-9-4-2-1-3-5-9)10-7-11(15(19)20)14(18)13(17)8-10/h1-5,7-8,17-18H,6H2
    Synonyms
    Ethanone, 1-(3,4-dihydroxy-5-nitrophenyl)-2-phenyl- | BIA 3-202 | 1-(3,4-dihydroxy-5-nitro-phenyl)-2-phenyl-ethanone ...
  9. Nitecapone (OR-462)
    CAS: 116313-94-1 EC Number: 802-638-2 PubChem CID: 5464105 Formula: C12H11NO6 Molecular Weight: 265.22
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99%
    ● In Stock — US warehouse, ships to EU* Item #: N648818
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    IUPAC Name
    3-[(3,4-dihydroxy-5-nitrophenyl)methylidene]pentane-2,4-dione
    SMILES
    CC(=O)C(=CC1=CC(=C(C(=C1)O)O)[N+](=O)[O-])C(=O)C
    InChIKey
    UPMRZALMHVUCIN-UHFFFAOYSA-N
    InChI
    1S/C12H11NO6/c1-6(14)9(7(2)15)3-8-4-10(13(18)19)12(17)11(16)5-8/h3-5,16-17H,1-2H3
    Synonyms
    98BS722498 | Nitecapona [INN-Spanish] | Nitecapone [INN] | Q7041230 | Nitecapone | Nitecaponum | 3-[(3,4-dihydroxy-5-...
  10. Entacapone-d10
    CAS: 1185241-19-3 Formula: C14H5D10N3O5 Molecular Weight: 315.35
    ◐ .Made to order · 8–12 wks Item #: E649682
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    Technical Identifiers
    IUPAC Name
    (E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-bis(1,1,2,2,2-pentadeuterioethyl)prop-2-enamide
    SMILES
    CCN(CC)C(=O)C(=CC1=CC(=C(C(=C1)O)O)[N+](=O)[O-])C#N
    InChIKey
    JRURYQJSLYLRLN-YFIMXNTNSA-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+/i1D3,2D3,3D2,4D2
  11. (3,4-Dihydroxy-5-nitrophenyl)(2-fluorophenyl)methanone
    CAS: 125628-97-9 PubChem CID: 3495594 Formula: C13H8FNO5 Molecular Weight: 277.2
    ◐ .Made to order · 8–12 wks Item #: D1367421
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    Technical Identifiers
    IUPAC Name
    (3,4-dihydroxy-5-nitrophenyl)-(2-fluorophenyl)methanone
    SMILES
    C1=CC=C(C(=C1)C(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-])F
    InChIKey
    RQPAUNZYTYHKHA-UHFFFAOYSA-N
    InChI
    1S/C13H8FNO5/c14-9-4-2-1-3-8(9)12(17)7-5-10(15(19)20)13(18)11(16)6-7/h1-6,16,18H
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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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