Drug Metabolite

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  1. Monomethyl Fumarate, Agonist of HCA 2 receptor
    CAS: 2756-87-8 EC Number: 220-412-6 Formula: C5H6O4 Molecular Weight: 130.1
    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%(GC)
    ● In Stock — US warehouse, ships to EU* Item #: M158861
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    IUPAC Name
    (E)-4-methoxy-4-oxobut-2-enoic acid
    SMILES
    COC(=O)C=CC(=O)O
    InChIKey
    NKHAVTQWNUWKEO-NSCUHMNNSA-N
    InChI
    1S/C5H6O4/c1-9-5(8)3-2-4(6)7/h2-3H,1H3,(H,6,7)/b3-2+
    Synonyms
    Maleicacidmonomethylester | Sun mark sinus | FUMARIC ACID MONOMETHYL ESTER [MI] | M2413 | Methyl hydrogen fumarate | ...
  2. Mycophenolate mofetil, Inhibitor of inosine monophosphate dehydrogenase 1;Inhibitor of inosine monophosphate dehydrogenase 2
    CAS: 128794-94-5 EC Number: 627-027-6 Formula: C23H31NO7 Molecular Weight: 433.49
    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 #: M131618
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    IUPAC Name
    2-morpholin-4-ylethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate
    SMILES
    CC1=C2COC(=O)C2=C(C(=C1OC)CC=C(C)CCC(=O)OCCN3CCOCC3)O
    InChIKey
    RTGDFNSFWBGLEC-SYZQJQIISA-N
    InChI
    1S/C23H31NO7/c1-15(5-7-19(25)30-13-10-24-8-11-29-12-9-24)4-6-17-21(26)20-18(14-31-23(20)27)16(2)22(17)28-3/h4,26H,5-14H2,1-3H3/b15-4+
    Synonyms
    2-morpholinoethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-hex-4-enoate | AB01274794...
  3. DL-4-Hydroxy-3-methoxymandelic acid
    CAS: 55-10-7 EC Number: 200-224-0 Formula: C9H10O5 Molecular Weight: 198.17
    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 #: H113502
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    IUPAC Name
    2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid
    SMILES
    COC1=C(C=CC(=C1)C(C(=O)O)O)O
    InChIKey
    CGQCWMIAEPEHNQ-UHFFFAOYSA-N
    InChI
    1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)
    Synonyms
    H0268 | Vanillomandelic acid | DL-vanillomandelic acid | HMS3371D20 | (+/-)-3-METHOXY-4-HYDROXYMANDELIC ACID | (y)-Va...
  4. Allopurinol riboside
    CAS: 16220-07-8 Formula: C10H12N4O5 Molecular Weight: 268.23
    Solid ≥95%
    ◐ .Made to order · 8–12 wks Item #: A334307
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    IUPAC Name
    1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[3,4-d]pyrimidin-4-one
    SMILES
    C1=NN(C2=C1C(=O)NC=N2)C3C(C(C(O3)CO)O)O
    InChIKey
    KFQUAMTWOJHPEJ-DAGMQNCNSA-N
    InChI
    1S/C10H12N4O5/c15-2-5-6(16)7(17)10(19-5)14-8-4(1-13-14)9(18)12-3-11-8/h1,3,5-7,10,15-17H,2H2,(H,11,12,18)/t5-,6-,7-,10-/m1/s1
    Synonyms
    4-Hydroxy-1H-pyrazolo[3,4-D]pyrimidine riboside | 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-y...
  5. Pyocyanin
    CAS: 85-66-5 EC Number: 687-347-7 PubChem CID: 6817 Formula: C13H10N2O Molecular Weight: 210.23
    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 #: P275084
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    IUPAC Name
    5-methylphenazin-1-one
    SMILES
    CN1C2=CC=CC=C2N=C3C1=CC=CC3=O
    InChIKey
    YNCMLFHHXWETLD-UHFFFAOYSA-N
    InChI
    1S/C13H10N2O/c1-15-10-6-3-2-5-9(10)14-13-11(15)7-4-8-12(13)16/h2-8H,1H3
    Synonyms
    5-methylphenazin-1-one | 5-methylphenazin-1(5H)-one | 5-methyl-1,5-dihydrophenazin-1-one | Pyocyanin | PYOCYANINE | P...
  6. Homovanillyl alcohol
    CAS: 2380-78-1 Formula: C9H12O3 Molecular Weight: 168.19
    ● In Stock — US warehouse, ships to EU* Item #: H168903
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    IUPAC Name
    4-(2-hydroxyethyl)-2-methoxyphenol
    SMILES
    COC1=C(C=CC(=C1)CCO)O
    InChIKey
    XHUBSJRBOQIZNI-UHFFFAOYSA-N
    InChI
    1S/C9H12O3/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,10-11H,4-5H2,1H3
    Synonyms
    BCP30361 | CHEBI:173769 | Benzeneethanol, 4-hydroxy-3-methoxy- | 4-Hydroxy-3-methoxyphenethyl alcohol | EINECS 219-17...
  7. Dimethyl sulfone
    CAS: 67-71-0 EC Number: 200-665-9 Formula: C2H6O2S Molecular Weight: 94.13
    ● In Stock — Germany Item #: D109386
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    IUPAC Name
    methylsulfonylmethane
    SMILES
    CS(=O)(=O)C
    InChIKey
    HHVIBTZHLRERCL-UHFFFAOYSA-N
    InChI
    1S/C2H6O2S/c1-5(2,3)4/h1-2H3
    Synonyms
    DTXSID4043937 | METHYL SULFONYL METHANE | D70240 | F0001-1776 | FT-0625160 | methyl sulphone | DB14090 | DMSO2 | dime...
  8. EXP 3174, Antagonist of AT 1 receptor
    CAS: 124750-92-1 EC Number: 112-196-6 Formula: C22H21ClN6O2 Molecular Weight: 436.89
    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)
    ● In Stock — US warehouse, ships to EU* Item #: E286809
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    IUPAC Name
    2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
    SMILES
    CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)O)Cl
    InChIKey
    ZEUXAIYYDDCIRX-UHFFFAOYSA-N
    InChI
    1S/C22H21ClN6O2/c1-2-3-8-18-24-20(23)19(22(30)31)29(18)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)21-25-27-28-26-21/h4-7,9-12H,2-3,8,13H2,1H3,(H,30,31)(Hshow more
    Synonyms
    2-Butyl-5-chloro-3-[2''-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-imidazole-4-carboxylic acid | GD76OCH73X | ZEUXAIY...
  9. N-Methylnicotinamide
    CAS: 114-33-0 EC Number: 204-046-4 Formula: C7H8N2O Molecular Weight: 136.15
    ● In Stock — US warehouse, ships to EU* Item #: N159805
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    IUPAC Name
    N-methylpyridine-3-carboxamide
    SMILES
    CNC(=O)C1=CN=CC=C1
    InChIKey
    ZYVXHFWBYUDDBM-UHFFFAOYSA-N
    InChI
    1S/C7H8N2O/c1-8-7(10)6-3-2-4-9-5-6/h2-5H,1H3,(H,8,10)
    Synonyms
    DB08840 | N-Methyl-3-pyridinecarboxamide | NSC66521 | NSC-66521 | 3-(Methylcarbamoyl)pyridine | HY-124124 | N-methyl ...
  10. (E/Z)-Endoxifen
    CAS: 110025-28-0 Formula: C25H27NO2 Molecular Weight: 373.49
    ● In Stock — US warehouse, ships to EU* Item #: E286966
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    IUPAC Name
    4-[(E)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
    SMILES
    CCC(=C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OCCNC)C3=CC=CC=C3
    InChIKey
    MHJBZVSGOZTKRH-OCOZRVBESA-N
    InChI
    1S/C25H27NO2/c1-3-24(19-7-5-4-6-8-19)25(20-9-13-22(27)14-10-20)21-11-15-23(16-12-21)28-18-17-26-2/h4-16,26-27H,3,17-18H2,1-2H3/b25-24+
    Synonyms
    BCP18474 | BS-41687 | 4OHNDtam | UNII-HB2U71MNOT | 4-[1-[4-[2-(METHYLAMINO)ETHOXY]PHENYL]-2-PHENYL-1-BUTENYL]PHENOL |...
  11. N-[3-(Acetylthio)-(2S)-methylpropionyl]-L-proline hydrate
    CAS: 64838-55-7 EC Number: 265-250-7 Formula: C11H17NO4S·xH2O Molecular Weight: 259.32
    ◐ .Made to order · 8–12 wks Item #: A113970
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    IUPAC Name
    (2S)-1-[(2S)-3-acetylsulfanyl-2-methylpropanoyl]pyrrolidine-2-carboxylic acid
    SMILES
    CC(CSC(=O)C)C(=O)N1CCCC1C(=O)O
    InChIKey
    ZNQRGUYIKSRYCI-APPZFPTMSA-N
    InChI
    1S/C11H17NO4S/c1-7(6-17-8(2)13)10(14)12-5-3-4-9(12)11(15)16/h7,9H,3-6H2,1-2H3,(H,15,16)/t7-,9+/m1/s1
    Synonyms
    S-Acetylcaptopril | Y139M16FXG | DU 1163 | (2S)-1-((2S)-3-acetylthio-2-methylpropanoyl)pyrrolidine-2-carboxylic acid ...
  12. Ritalinic Acid
    CAS: 19395-41-6 Formula: C13H17NO2 Molecular Weight: 219.28
    ● In Stock — US warehouse, ships to EU* Item #: R160919
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    IUPAC Name
    2-phenyl-2-piperidin-2-ylacetic acid
    SMILES
    C1CCNC(C1)C(C2=CC=CC=C2)C(=O)O
    InChIKey
    INGSNVSERUZOAK-UHFFFAOYSA-N
    InChI
    1S/C13H17NO2/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16)
    Synonyms
    FT-0674439 | s5251 | 1-Methoxy-1-(trimethylsiloxy)-2-methyl-1-propene | L-threo-Ritalinic Acid;(2S)-2-Phenyl-2-[(S)-2...
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What can I find under Drug Metabolite?
This listing collects compounds associated with Drug Metabolite within our Metabolic Enzyme/Protease area — inhibitors, agonists or antagonists, and reference tool compounds. Each entry links to its structure, CAS number, and reported activity so you can confirm the annotation before ordering.
What should I consider when picking a compound for Drug Metabolite?
Consider the reported potency of each Drug Metabolite compound and the assay behind it, selectivity against closely related targets, cell permeability if you are working in cells, and stability in your buffer. Two chemically distinct compounds giving the same phenotype is much stronger evidence than one.
What quality information is provided for Drug Metabolite compounds?
Each Drug Metabolite product page lists purity, identity data, molecular formula and weight, and storage conditions, with a lot-specific Certificate of Analysis available. Solubility and handling notes are on the datasheet. All products are supplied for professional research and development use only, and are not for use in humans, animals, diagnostics, or therapy.
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Yes. Filter the Drug Metabolite listing by mechanism — inhibitor, agonist, antagonist — and search by target name or gene symbol, CAS number, molecular formula, or SMILES to reach exact structures and close analogs. For bulk quantities or items not listed, contact [email protected].

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