By Target / Pathway / Disease

Explore small molecules, screening libraries, and tool compounds for discovery research. Browse by target, pathway, or ligand family to quickly find inhibitors, agonists, and chemical probes, with searchable structure/CAS data and supporting documents (SDS/COA where available).

136,942 products

Ready-to-screen compound libraries and focused sets for hit discovery. Browse libraries by target class, pathway, scaffold, or application, and review size, format, and compound information to build screening panels.Customize Your Screening Library to choose compounds, format, and volume, and we’ll prepare a ready-to-use set for you.Customize Your Screening Library

Navigate small molecules by ligand family or scaffold to build focused sets and explore structure–activity relationships. This category groups related chemotypes, helping you select analogs, fragments, and tool molecules for discovery research.

ADC-focused building blocks and tools to support antibody–drug conjugate research. Explore payloads, linkers, conjugation reagents, and related small-molecule components (where available) for designing and evaluating ADC constructs.

PROTAC

2,814

PROTAC and targeted protein degradation tools for discovery research. Browse degrader-related ligands, linkers, and building blocks (where available) to assemble or screen PROTAC designs, with clear identifiers for efficient selection.

Explore pathway-focused tool compounds to study and modulate key signaling cascades. Browse small molecules grouped by signaling pathway to support mechanism studies, phenotypic assays, and target validation, with clear identifiers for fast searching.

Find bioactive small molecules organized by protein target (DTO). Quickly locate tool compounds for specific targets and compare identifiers such as structure, CAS, and synonyms—plus supporting documents —to build screening and validation sets.

Shop small molecules and tool compounds organized by disease area (DOID). Discover chemical probes, libraries, and related products mapped to therapeutic areas to help assemble compound sets for screening, pathway exploration, and model studies.

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  1. Ceftezole Sodium
    CAS: 41136-22-5 EC Number: 110-653-4 Formula: C13H11N8NaO4S3 Molecular Weight: 462.46
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: C423870
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    IUPAC Name
    sodium;(6R,7R)-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
    SMILES
    C1C(=C(N2C(S1)C(C2=O)NC(=O)CN3C=NN=N3)C(=O)[O-])CSC4=NN=CS4.[Na+]
    InChIKey
    UGUMHWUOXWFPFH-JHQAJZDGSA-M
    InChI
    1S/C13H12N8O4S3.Na/c22-7(1-20-4-14-18-19-20)16-8-10(23)21-9(12(24)25)6(2-26-11(8)21)3-27-13-17-15-5-28-13;/h4-5,8,11H,1-3H2,(H,16,22)(H,24,25);/q;+1/pshow more
    Synonyms
    5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 8-oxo-7-((1H-tetrazol-1-ylacetyl)amino)-3-((1,3,4-thiadiazol-2...
  2. Ceftibuten dihydrate
    CAS: 118081-34-8 Formula: C15H18N4O8S2 Molecular Weight: 446.46
    ● In Stock — US warehouse, ships to EU* Item #: C413044
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    IUPAC Name
    (6R,7R)-7-[[(Z)-2-(2-amino-1,3-thiazol-4-yl)-4-carboxybut-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;dihydrate
    SMILES
    C1C=C(N2C(S1)C(C2=O)NC(=O)C(=CCC(=O)O)C3=CSC(=N3)N)C(=O)O.O.O
    InChIKey
    SSWTVBYDDFPFAF-DKOGRLLHSA-N
    InChI
    1S/C15H14N4O6S2.2H2O/c16-15-17-7(5-27-15)6(1-2-9(20)21)11(22)18-10-12(23)19-8(14(24)25)3-4-26-13(10)19;;/h1,3,5,10,13H,2,4H2,(H2,16,17)(H,18,22)(H,20,show more
    Synonyms
    (+)-(6R,7R)-7-[2-(2-Amino-1,3-thiazol-4-yl)-4-carboxy-2-butenamide]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbo...
  3. Ceftibuten dihydrate
    CAS: 118081-34-8 EC Number: 690-755-8 Formula: C15H18N4O8S2 Molecular Weight: 446.46
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: C420801
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    Technical Identifiers
    IUPAC Name
    (6R,7R)-7-[[(Z)-2-(2-amino-1,3-thiazol-4-yl)-4-carboxybut-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;dihydrate
    SMILES
    C1C=C(N2C(S1)C(C2=O)NC(=O)C(=CCC(=O)O)C3=CSC(=N3)N)C(=O)O.O.O
    InChIKey
    SSWTVBYDDFPFAF-DKOGRLLHSA-N
    InChI
    1S/C15H14N4O6S2.2H2O/c16-15-17-7(5-27-15)6(1-2-9(20)21)11(22)18-10-12(23)19-8(14(24)25)3-4-26-13(10)19;;/h1,3,5,10,13H,2,4H2,(H2,16,17)(H,18,22)(H,20,show more
    Synonyms
    (+)-(6R,7R)-7-[2-(2-Amino-1,3-thiazol-4-yl)-4-carboxy-2-butenamide]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbo...
  4. Ceftiofur HCl
    CAS: 103980-44-5 Formula: C19H17N5O7S3.HCl Molecular Weight: 560.02
    10mM in DMSO
    ◐ .Made to order · 8–12 wks Item #: C408669
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    Technical Identifiers
    Synonyms
    U-67279A | (6R,​7R)​-7-​[[(2Z)​-​2-​(2-​amino-​4-​thiazolyl)​-​2-​(methoxyimino)​acetyl]​amino]​-​3-​[[(2-​furanylcar...
  5. Ceftiofur sodium
    CAS: 104010-37-9 PubChem CID: 23671563 Formula: C19H16N5O7S3.Na Molecular Weight: 545.6
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: C420438
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    Technical Identifiers
    IUPAC Name
    sodium;(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(furan-2-carbonylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]ocshow more
    SMILES
    CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC(=O)C4=CC=CO4)C(=O)[O-].[Na+]
    InChIKey
    RFLHUYUQCKHUKS-JUODUXDSSA-M
    InChI
    1S/C19H17N5O7S3.Na/c1-30-23-11(9-7-34-19(20)21-9)14(25)22-12-15(26)24-13(17(27)28)8(5-32-16(12)24)6-33-18(29)10-3-2-4-31-10;/h2-4,7,12,16H,5-6H2,1H3,(show more
    Synonyms
    CEFTIOFUR SODIUM (MART.) | CEFTIOFUR NATRIUM [WHO-DD] | SODIUM (6R,7R)-7-(2-(2-AMINO-4-THIAZOLYL)GLYOXYLAMIDO)-3-(MER...
  6. Celecoxib (SC 58635), Cyclooxygenase-2 inhibitor
    CAS: 169590-42-5 EC Number: 685-962-5 Formula: C17H14F3N3O2S Molecular Weight: 381.37
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: C408187
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    Technical Identifiers
    Synonyms
    4-(5-p-tolyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide
  7. Celery ketone
    CAS: 3720-16-9 Formula: C10H16O Molecular Weight: 152.24
    ● In Stock — US warehouse, ships to EU* Item #: C347469
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    Technical Identifiers
    IUPAC Name
    3-methyl-5-propylcyclohex-2-en-1-one
    SMILES
    CCCC1CC(=CC(=O)C1)C
    InChIKey
    URQMEZRQHLCJKR-UHFFFAOYSA-N
    InChI
    1S/C10H16O/c1-3-4-9-5-8(2)6-10(11)7-9/h6,9H,3-5,7H2,1-2H3
    Synonyms
    3-Methyl-5-propyl-2-cyclohexen-1-one | FT-0616110 | LIVESCONE | W-106562 | ALPHA-HYDROXYFARNESYLPHOSPHONICACID | 3-Me...
  8. Cephalosporin C sodium salt
    CAS: 51762-04-0 EC Number: 257-390-2 Formula: C16H20N3NaO8S Molecular Weight: 437.4
    Solid ≥97%
    ● In Stock — US warehouse, ships to EU* Item #: C303867
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    Technical Identifiers
    IUPAC Name
    sodium;(6R,7R)-3-(acetyloxymethyl)-7-[(5-amino-5-carboxypentanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
    SMILES
    CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CCCC(C(=O)O)N)SC1)C(=O)[O-].[Na+]
    InChIKey
    HZWLVUKHUSRPCG-BJIHTTGYSA-M
    InChI
    1S/C16H21N3O8S.Na/c1-7(20)27-5-8-6-28-14-11(13(22)19(14)12(8)16(25)26)18-10(21)4-2-3-9(17)15(23)24;/h9,11,14H,2-6,17H2,1H3,(H,18,21)(H,23,24)(H,25,26)show more
    Synonyms
    51762-04-0|CEPHALOSPORIN C SODIUM|Cephalosporin C sodium salt|sodium;(6R,7R)-3-(acetyloxymethyl)-7-[(5-amino-5-carbox...
  9. Cephapirin Benzathine
    CAS: 97468-37-6 PubChem CID: 167441 Formula: C50H54N8O12S4 Molecular Weight: 1087.27
    PharmPure™ ? PharmPure™ — Aladdin's line of biopharmaceutical raw and starting materials. Use for pharma manufacturing inputs needing high purity and documentation. USP ? United States Pharmacopeia grade — meets USP monograph specs for pharmaceutical use. Use for drug manufacturing, QC, and applications requiring US compendial compliance.
    ● In Stock — US warehouse, ships to EU* Item #: C348071
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    Technical Identifiers
    IUPAC Name
    (6R,7R)-3-(acetyloxymethyl)-8-oxo-7-[(2-pyridin-4-ylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;N,N'-dibenzylethane-1,show more
    SMILES
    CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CSC3=CC=NC=C3)SC1)C(=O)O.CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CSC3=CC=NC=C3)SC1)C(=O)O.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2
    InChIKey
    JAHKOXGROZNHHG-RACYMRPCSA-N
    InChI
    1S/2C17H17N3O6S2.C16H20N2/c2*1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9show more
    Synonyms
    AKOS032944865 | ToMORROW intramammary infusion | CEPHAPIRIN BENZATHINE [USP MONOGRAPH] | Cephapirin benzathine [USP] ...
  10. Cephapirin Benzathine
    CAS: 97468-37-6 EC Number: 619-270-1 PubChem CID: 167441 Formula: C50H54N8O12S4 Molecular Weight: 1087.27
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: C427188
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    Technical Identifiers
    IUPAC Name
    (6R,7R)-3-(acetyloxymethyl)-8-oxo-7-[(2-pyridin-4-ylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;N,N'-dibenzylethane-1,show more
    SMILES
    CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CSC3=CC=NC=C3)SC1)C(=O)O.CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CSC3=CC=NC=C3)SC1)C(=O)O.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2
    InChIKey
    JAHKOXGROZNHHG-RACYMRPCSA-N
    InChI
    1S/2C17H17N3O6S2.C16H20N2/c2*1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9show more
    Synonyms
    AKOS032944865 | ToMORROW intramammary infusion | CEPHAPIRIN BENZATHINE [USP MONOGRAPH] | Cephapirin benzathine [USP] ...
  11. Cerivastatin sodium, HMG-CoA reductase inhibitor
    CAS: 143201-11-0 PubChem CID: 23663992 Formula: C26H33FNNaO5 Molecular Weight: 481.53
    ◐ .Made to order · 8–12 wks Item #: C275025
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    Technical Identifiers
    IUPAC Name
    sodium;(E,3R,5S)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)pyridin-3-yl]-3,5-dihydroxyhept-6-enoate
    SMILES
    CC(C)C1=C(C(=C(C(=N1)C(C)C)COC)C2=CC=C(C=C2)F)C=CC(CC(CC(=O)[O-])O)O.[Na+]
    InChIKey
    GPUADMRJQVPIAS-QCVDVZFFSA-M
    InChI
    1S/C26H34FNO5.Na/c1-15(2)25-21(11-10-19(29)12-20(30)13-23(31)32)24(17-6-8-18(27)9-7-17)22(14-33-5)26(28-25)16(3)4;/h6-11,15-16,19-20,29-30H,12-14H2,1-show more
    Synonyms
    bayw6228 | Bay-w-6228 | Tox21_112244_1 | Baycol (TN) | Sodium (3R,5S,6E)-7-(4-(4-fluorophenyl)-2,6-diisopropyl-5-met...
  12. Cemadotin
    CAS: 159776-69-9 Formula: C35H56N6O5 Molecular Weight: 640.86
    ● In Stock — US warehouse, ships to EU* Item #: C346896
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    IUPAC Name
    (2S)-N-benzyl-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-show more
    SMILES
    CC(C)C(C(=O)N(C)C(C(C)C)C(=O)N1CCCC1C(=O)N2CCCC2C(=O)NCC3=CC=CC=C3)NC(=O)C(C(C)C)N(C)C
    InChIKey
    XSAKVDNHFRWJKS-IIZANFQQSA-N
    InChI
    1S/C35H56N6O5/c1-22(2)28(37-32(43)29(23(3)4)38(7)8)34(45)39(9)30(24(5)6)35(46)41-20-14-18-27(41)33(44)40-19-13-17-26(40)31(42)36-21-25-15-11-10-12-16-show more
    Synonyms
    LU103793 | LU-103793 | NSC D-669356 | LU 103793 | N,N-dimethyl-L-valyl-L-valyl-N-methyl-L-valyl-L-prolyl-L-prolineben...
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Frequently Asked Questions

What does the By Target/Pathway/Disease listing cover?
It groups compounds associated with targets in By Target/Pathway/Disease, organised so you can move from the pathway to an individual target and then to a specific chemotype. Each entry carries structure, CAS number, and reported activity.
How is By Target/Pathway/Disease organised?
By Target/Pathway/Disease is broken down into Compound Libraries, PROTACs, molecular glues and other degraders and Antibody-drug Conjugates(ADC). Compounds acting on more than one node appear under each relevant target.
How do I choose compounds for By Target/Pathway/Disease research?
For By Target/Pathway/Disease, pick a well-characterised reference compound for the node you want to perturb, and pair it with a structurally unrelated compound hitting the same target — that is the cleanest way to separate pathway effects from off-target ones. Check potency, selectivity, and cell permeability against your assay format. All products are supplied for professional research and development use only, and are not for use in humans, animals, diagnostics, or therapy.
How do I find a specific compound within By Target/Pathway/Disease?
Search By Target/Pathway/Disease by compound name, CAS number, or SMILES, or drill down through the target listing. Unlisted compounds and bulk quantities: [email protected]. We supply verified businesses, research institutions, universities, and government agencies.

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