Cytochrome P450

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  1. Gemfibrozil, Peroxisome proliferator-activated receptor alpha agonist
    CAS: 25812-30-0 EC Number: 247-280-2 Formula: C15H22O3 Molecular Weight: 250.33
    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 #: G129727
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    IUPAC Name
    5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid
    SMILES
    CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O
    InChIKey
    HEMJJKBWTPKOJG-UHFFFAOYSA-N
    InChI
    1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)
    Synonyms
    EINECS 247-280-2 | 2,2-Dimethyl-5-(2,5-xylyloxy)valeriansaeure | Gemfibrozilum | Prestwick_637 | WL-Gemfibrozil | Inn...
  2. Terpinyl Acetate
    CAS: 80-26-2 PubChem CID: 111037 Formula: C12H20O2 Molecular Weight: 196.29
    ● In Stock — Germany Item #: T162412
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    IUPAC Name
    2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate
    SMILES
    CC1=CCC(CC1)C(C)(C)OC(=O)C
    InChIKey
    IGODOXYLBBXFDW-UHFFFAOYSA-N
    InChI
    1S/C12H20O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h5,11H,6-8H2,1-4H3
    Synonyms
    .ALPHA.,.ALPHA.,4-TRIMETHYL-3-CYCLOHEXENE-1-METHYL ACETATE | (+/-)-alpha-Terpinyl acetate | Terpineol acetate | -erpi...
  3. GYKI 47261 dihydrochloride
    CAS: 1217049-32-5 PubChem CID: 46861544 Formula: C18H15ClN4•2HCl Molecular Weight: 395.71
    ◐ .Made to order · 8–12 wks Item #: G288049
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    IUPAC Name
    4-(8-chloro-2-methyl-11H-imidazo[1,2-c][2,3]benzodiazepin-6-yl)aniline;dihydrochloride
    SMILES
    CC1=CN2C(=N1)CC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=C(C=C4)N.Cl.Cl
    InChIKey
    HUNSEMNKAFDVDI-UHFFFAOYSA-N
    InChI
    1S/C18H15ClN4.2ClH/c1-11-10-23-17(21-11)8-13-2-5-14(19)9-16(13)18(22-23)12-3-6-15(20)7-4-12;;/h2-7,9-10H,8,20H2,1H3;2*1H
    Synonyms
    4-(8-Chloro-2-methyl-11H-imidazo[1,2-c][2,3]benzodiazepin-6-benzeneamine dihydrochloride
  4. HET-0016, Inhibitor of CYP4F12
    CAS: 339068-25-6 Formula: C12H18N2O Molecular Weight: 206.3
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    ◐ .Made to order · 8–12 wks Item #: H275645
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    IUPAC Name
    N'-(4-butyl-2-methylphenyl)-N-hydroxymethanimidamide
    SMILES
    CCCCC1=CC(=C(C=C1)N=CNO)C
    InChIKey
    LYNOGBKNFIHKLE-UHFFFAOYSA-N
    InChI
    1S/C12H18N2O/c1-3-4-5-11-6-7-12(10(2)8-11)13-9-14-15/h6-9,15H,3-5H2,1-2H3,(H,13,14)
    Synonyms
    CHEBI:172333 | N-(4-butyl-2-methylphenyl)-N''''-hydroxyimidoformamide | N-Hydroxy-N'-(4-N-butyl-2-methylphenyl)forman...
  5. Ipriflavone
    CAS: 35212-22-7 Formula: C18H16O3 Molecular Weight: 280.32
    ● In Stock — US warehouse, ships to EU* Item #: I157461
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    IUPAC Name
    3-phenyl-7-propan-2-yloxychromen-4-one
    SMILES
    CC(C)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=CC=C3
    InChIKey
    SFBODOKJTYAUCM-UHFFFAOYSA-N
    InChI
    1S/C18H16O3/c1-12(2)21-14-8-9-15-17(10-14)20-11-16(18(15)19)13-6-4-3-5-7-13/h3-12H,1-2H3
    Synonyms
    AMY25650 | NCGC00018139-02 | Osteofix | 7-Isopropoxy-3-phenyl-4H-1-benzopyran-4-one, 97% | CCG-100963 | ipriflavone |...
  6. Sulfamethazine
    CAS: 57-68-1 EC Number: 231-791-2 PubChem CID: 5327 Formula: C12H14N4O2S Molecular Weight: 278.33
    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 #: S107357
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    IUPAC Name
    4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
    SMILES
    CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C
    InChIKey
    ASWVTGNCAZCNNR-UHFFFAOYSA-N
    InChI
    1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)
    Synonyms
    N1-(4,6-Dimethyl-2-pyrimidinyl)sulfanilamide | Spanbolet | Sulphadimidine | Dimezathine | LANTRISUL COMPONENT SULFAME...
  7. Sulfaphenazole, Bacterial dihydropteroate synthase inhibitor
    CAS: 526-08-9 PubChem CID: 5335 Formula: C15H14N4O2S Molecular Weight: 314.362
    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 #: S137259
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    IUPAC Name
    4-amino-N-(2-phenylpyrazol-3-yl)benzenesulfonamide
    SMILES
    C1=CC=C(C=C1)N2C(=CC=N2)NS(=O)(=O)C3=CC=C(C=C3)N
    InChIKey
    QWCJHSGMANYXCW-UHFFFAOYSA-N
    InChI
    1S/C15H14N4O2S/c16-12-6-8-14(9-7-12)22(20,21)18-15-10-11-17-19(15)13-4-2-1-3-5-13/h1-11,18H,16H2
    Synonyms
    1420043-53-3 | SULFAPHENAZOLE [MART.] | DivK1c_000303 | NSC-757859 | Prestwick0_000021 | Spectrum_001406 | MLS0010567...
  8. Troleandomycin, 70S ribosome inhibitor
    CAS: 2751-09-9 PubChem CID: 202225 Formula: C41H67NO15 Molecular Weight: 814
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥97%
    ◐ .Made to order · 8–12 wks Item #: T275157
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    IUPAC Name
    [(3R,5S,6S,7R,8S,9R,12R,13S,14S,15R)-6-[(2S,3R,4S,6R)-3-acetyloxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-8-[(2R,4S,5S,6S)-5-acetyloxy-4-methoxy-6-metshow more
    SMILES
    CC1CC(C(C(O1)OC2C(CC3(CO3)C(=O)C(C(C(C(OC(=O)C(C(C2C)OC4CC(C(C(O4)C)OC(=O)C)OC)C)C)C)OC(=O)C)C)C)OC(=O)C)N(C)C
    InChIKey
    LQCLVBQBTUVCEQ-QTFUVMRISA-N
    InChI
    1S/C41H67NO15/c1-19-17-41(18-49-41)38(46)23(5)34(53-27(9)43)21(3)25(7)52-39(47)24(6)35(56-32-16-31(48-14)36(26(8)51-32)54-28(10)44)22(4)33(19)57-40-37show more
    Synonyms
    CCG-220036 | HMS1648N05 | Troleandomycine [INN-French] | J-018128 | NCGC00179654-01 | oleandomycin triacetate ester |...
  9. Itraconazole
    CAS: 84625-61-6 EC Number: 617-596-9 Formula: C35H38Cl2N8O4 Molecular Weight: 705.63
    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 #: I129771
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    IUPAC Name
    2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-show more
    SMILES
    CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl
    InChIKey
    VHVPQPYKVGDNFY-UHFFFAOYSA-N
    InChI
    1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43show more
    Synonyms
    R51211 | 2-(butan-2-yl)-4-{4-[4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy...
  10. Thienyldecyl isothiocyanate
    CAS: 288323-41-1 PubChem CID: 9925743 Formula: C15H23NS2 Molecular Weight: 281.48
    ● In Stock — US warehouse, ships to EU* Item #: T276473
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    IUPAC Name
    2-(10-isothiocyanatodecyl)thiophene
    SMILES
    C1=CSC(=C1)CCCCCCCCCCN=C=S
    InChIKey
    QRGUKFSTCYZBKD-UHFFFAOYSA-N
    InChI
    1S/C15H23NS2/c17-14-16-12-8-6-4-2-1-3-5-7-10-15-11-9-13-18-15/h9,11,13H,1-8,10,12H2
    Synonyms
    2-(10-Isothiocyanatodecyl)thiophene
  11. Topiroxostat, Xanthine dehydrogenase inhibitor
    CAS: 577778-58-6 PubChem CID: 5288320 Formula: C13H8N6 Molecular Weight: 248.24
    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 #: T304047
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    IUPAC Name
    4-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine-2-carbonitrile
    SMILES
    C1=CN=CC=C1C2=NC(=NN2)C3=CC(=NC=C3)C#N
    InChIKey
    UBVZQGOVTLIHLH-UHFFFAOYSA-N
    InChI
    1S/C13H8N6/c14-8-11-7-10(3-6-16-11)13-17-12(18-19-13)9-1-4-15-5-2-9/h1-7H,(H,17,18,19)
    Synonyms
    4-(5-(pyridin-4-yl)-1H-1,2,4-triazol-3-yl)picolinonitrile | 2-Pyridinecarbonitrile, 4-[5-(4-pyridinyl)-1H-1,2,4-triaz...
  12. Ketoconazole, Inhibitor of CYP3A4;Channel blocker of K v1.8
    CAS: 65277-42-1 EC Number: 265-667-4 Formula: C26H28Cl2N4O4 Molecular Weight: 531.43
    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 #: K129737
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    IUPAC Name
    1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
    SMILES
    CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl
    InChIKey
    XMAYWYJOQHXEEK-OZXSUGGESA-N
    InChI
    1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-show more
    Synonyms
    HMS3678J17 | Ketoconazole (k) | KTZ | MLS002222255 | N-(1,3,4-Trihydroxyoctadecan-2-yl)octadecanimidic acid | NCGC000...
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Frequently Asked Questions

What can I find under Cytochrome P450?
This listing collects compounds associated with Cytochrome P450 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 Cytochrome P450?
Consider the reported potency of each Cytochrome P450 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 Cytochrome P450 compounds?
Each Cytochrome P450 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.
Can I search Cytochrome P450 compounds by activity or structure?
Yes. Filter the Cytochrome P450 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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