Drug Metabolite

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  1. Melamine
    CAS: 108-78-1 EC Number: 203-615-4 Formula: C3H6N6 Molecular Weight: 126.12
    Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. ≥99.9%(HPLC)
    ● In Stock — US warehouse, ships to EU* Item #: M108434
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    IUPAC Name
    1,3,5-triazine-2,4,6-triamine
    SMILES
    C1(=NC(=NC(=N1)N)N)N
    InChIKey
    JDSHMPZPIAZGSV-UHFFFAOYSA-N
    InChI
    1S/C3H6N6/c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6,7,8,9)
    Synonyms
    CCG-266105 | MELAMINE (IARC) | Melamine; 1,3,5-Triazine-2,4,6-triamine | STK378738 | 2,6-Triamino-1,3,5-triazine | s-...
  2. N-Acetyl Sulfamethoxazole
    CAS: 21312-10-7 Formula: C12H13N3O4S Molecular Weight: 295.314
    ● In Stock — US warehouse, ships to EU* Item #: N140734
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    IUPAC Name
    N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
    SMILES
    CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C
    InChIKey
    GXPIUNZCALHVBA-UHFFFAOYSA-N
    InChI
    1S/C12H13N3O4S/c1-8-7-12(14-19-8)15-20(17,18)11-5-3-10(4-6-11)13-9(2)16/h3-7H,1-2H3,(H,13,16)(H,14,15)
    Synonyms
    N4-Acetylsulfamethoxazole, analytical standard | SULFAMETHOXAZOLE IMPURITY A [EP IMPURITY] | N-(4-(((5-Methylisoxazol...
  3. N-Acetylprocainamide hydrochloride
    CAS: 34118-92-8 EC Number: 251-831-2 Formula: C15H24ClN3O2 Molecular Weight: 313.82
    ● In Stock — US warehouse, ships to EU* Item #: I169714
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    IUPAC Name
    4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
    SMILES
    CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C.Cl
    InChIKey
    IYEWBJUCJHKLHD-UHFFFAOYSA-N
    InChI
    1S/C15H23N3O2.ClH/c1-4-18(5-2)11-10-16-15(20)13-6-8-14(9-7-13)17-12(3)19;/h6-9H,4-5,10-11H2,1-3H3,(H,16,20)(H,17,19);1H
    Synonyms
    A20512 | Acecainide hydrochloride | NCGC00015072-10 | Tox21_500009 | Benzylpenicillin G | J-019456 | SCHEMBL122991 | ...
  4. BTS 54-505 hydrochloride
    CAS: 84484-78-6 EC Number: 617-574-9 Formula: C15H22NCl•HCl Molecular Weight: 288.26
    Solid ≥99%
    ● In Stock — US warehouse, ships to EU* Item #: B286942
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    IUPAC Name
    1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-1-amine;hydrochloride
    SMILES
    CC(C)CC(C1(CCC1)C2=CC=C(C=C2)Cl)N.Cl
    InChIKey
    KHRVYINTXCWNRF-UHFFFAOYSA-N
    InChI
    1S/C15H22ClN.ClH/c1-11(2)10-14(17)15(8-3-9-15)12-4-6-13(16)7-5-12;/h4-7,11,14H,3,8-10,17H2,1-2H3;1H
    Synonyms
    EPA Pesticide Chemical Code 078802 | Esiteren | Q27293871 | Bts 54 505 | CYCLOBUTANEMETHANAMINE, 1-(4-CHLOROPHENYL)-....
  5. Omeprazole Sulfide
    CAS: 73590-85-9 EC Number: 615-997-3 Formula: C17H19N3O2S Molecular Weight: 329.42
    ● In Stock — Germany Item #: O159937
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    IUPAC Name
    6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfanyl]-1H-benzimidazole
    SMILES
    CC1=CN=C(C(=C1OC)C)CSC2=NC3=C(N2)C=C(C=C3)OC
    InChIKey
    XURCIPRUUASYLR-UHFFFAOYSA-N
    InChI
    1S/C17H19N3O2S/c1-10-8-18-15(11(2)16(10)22-4)9-23-17-19-13-6-5-12(21-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)
    Synonyms
    CAS-73590-85-9 | INDIUMNITRATE | MFCD00869021 | 6-methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)thio)-1H-ben...
  6. N-desmethylclozapine
    CAS: 6104-71-8 EC Number: 636-421-7 Formula: C17H17ClN4 Molecular Weight: 312.8
    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 #: N135216
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    IUPAC Name
    3-chloro-6-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepine
    SMILES
    C1CN(CCN1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42
    InChIKey
    JNNOSTQEZICQQP-UHFFFAOYSA-N
    InChI
    1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19-20H,7-10H2
    Synonyms
    BCP30683 | CAS_2820 | GTPL333 | UNII-1I9001LWY8 | BDBM50122054 | BRD-K10042277-001-04-3 | Desmethylclozapine | 3-chlo...
  7. Pinostilbene
    CAS: 42438-89-1 PubChem CID: 5473050 Formula: C15H14O3 Molecular Weight: 242.27
    ● In Stock — US warehouse, ships to EU* Item #: P160115
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    IUPAC Name
    3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenol
    SMILES
    COC1=CC(=CC(=C1)O)C=CC2=CC=C(C=C2)O
    InChIKey
    KUWZXOMQXYWKBS-NSCUHMNNSA-N
    InChI
    1S/C15H14O3/c1-18-15-9-12(8-14(17)10-15)3-2-11-4-6-13(16)7-5-11/h2-10,16-17H,1H3/b3-2+
    Synonyms
    3-[(1E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenol | 3-methoxy-4',5-dihydroxy-trans-stilbene | trans-Pinostilbene | ...
  8. Urolithin A
    CAS: 1143-70-0 EC Number: 881-478-5 PubChem CID: 5488186 Formula: C13H8O4 Molecular Weight: 228.20
    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)
    ● In Stock — US warehouse, ships to EU* Item #: U287598
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    IUPAC Name
    3,8-dihydroxybenzo[c]chromen-6-one
    SMILES
    C1=CC2=C(C=C1O)C(=O)OC3=C2C=CC(=C3)O
    InChIKey
    RIUPLDUFZCXCHM-UHFFFAOYSA-N
    InChI
    1S/C13H8O4/c14-7-1-3-9-10-4-2-8(15)6-12(10)17-13(16)11(9)5-7/h1-6,14-15H
    Synonyms
    3,8-Dihydroxyurolithin | 3,8-dihydroxy-urolithin | FT-0778244 | 3,8-dihydroxy-6h-dibenzo[b,d]pyran-6-one | 3,8-Dihydr...
  9. DL-3,4-Dihydroxymandelic Acid
    CAS: 775-01-9 PubChem CID: 85782 Formula: C8H8O5 Molecular Weight: 184.15
    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%(T)
    ● In Stock — US warehouse, ships to EU* Item #: S161146
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    IUPAC Name
    2-(3,4-dihydroxyphenyl)-2-hydroxyacetic acid
    SMILES
    C1=CC(=C(C=C1C(C(=O)O)O)O)O
    InChIKey
    RGHMISIYKIHAJW-UHFFFAOYSA-N
    InChI
    1S/C8H8O5/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,7,9-11H,(H,12,13)
    Synonyms
    CCRIS 3246 | UNII-EZI2C7VVU0 | Benzeneacetic acid, alpha,3,4-trihydroxy- | (3,4-Dihydroxyphenyl)glycolic acid | A8088...
  10. Paliperidone, Serotonin 2a (5-HT2a) receptor antagonist
    CAS: 144598-75-4 EC Number: 620-493-1 Formula: C23H27FN4O3 Molecular Weight: 426.48
    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 #: P120141
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    IUPAC Name
    3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
    SMILES
    CC1=C(C(=O)N2CCCC(C2=N1)O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F
    InChIKey
    PMXMIIMHBWHSKN-UHFFFAOYSA-N
    InChI
    1S/C23H27FN4O3/c1-14-17(23(30)28-9-2-3-19(29)22(28)25-14)8-12-27-10-6-15(7-11-27)21-18-5-4-16(24)13-20(18)31-26-21/h4-5,13,15,19,29H,2-3,6-12H2,1H3
    Synonyms
    9-hydroxy risperidone | N05AX13 | Q423292 | racemic paliperidone | RAC 9-HYDROXY RISPERIDONE | SR-02000000862 | FT-06...
  11. Palifosfamide, DNA cross-linking agent
    CAS: 31645-39-3 Formula: C4H11Cl2N2O2P Molecular Weight: 221.02
    Solid ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: P125463
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    IUPAC Name
    bis(2-chloroethylamino)phosphinic acid
    SMILES
    C(CCl)NP(=O)(NCCCl)O
    InChIKey
    BKCJZNIZRWYHBN-UHFFFAOYSA-N
    InChI
    1S/C4H11Cl2N2O2P/c5-1-3-7-11(9,10)8-4-2-6/h1-4H2,(H3,7,8,9,10)
    Synonyms
    DB05668 | IPAM | 6A4U6NN813 | Isophosphoramide mustard | Isophosphamide mustard | N,N'-Di-(2-chloroethyl)phosphorodia...
  12. Methyl all-cis-5,8,11,14,17-eicosapentaenoate
    CAS: 2734-47-6 EC Number: 688-140-4 Formula: CH3(CH2CH=CH)5(CH2)3CO2CH3 Molecular Weight: 316.48
    Liquid ≥97%(GC)
    ◐ .Made to order · 8–12 wks Item #: M138595
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    IUPAC Name
    methyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
    SMILES
    CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OC
    InChIKey
    QWDCYFDDFPWISL-JEBPEJKESA-N
    InChI
    1S/C21H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h4-5,7-8,10-11,13-14,16-17H,3,6,9,12,15,18-20H2,1-2H3/b5-4-,8-7-,11-10-,14-13show more
    Synonyms
    cis-5,8,11,14,17-Eicosapentaenoic acid methyl ester | 1H-1,2,4-Triazole, 1-((tert-butylcarbonyl-4-chlorophenoxy)methy...
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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.
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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.
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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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