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).

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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

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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. Cefpiramide sodium, Bacterial penicillin-binding protein inhibitor
    CAS: 74849-93-7 Formula: C25H23N8O7S2•Na Molecular Weight: 634.62
    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%
    ◐ .Made to order · 8–12 wks Item #: C356758
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    IUPAC Name
    sodium;(6R,7R)-7-[[(2R)-2-(4-hydroxyphenyl)-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-show more
    SMILES
    CC1=CC(=O)C(=CN1)C(=O)NC(C2=CC=C(C=C2)O)C(=O)NC3C4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)[O-].[Na+]
    InChIKey
    RIWWMGQFMUUYIY-ALLHVENQSA-M
    InChI
    1S/C25H24N8O7S2.Na/c1-11-7-16(35)15(8-26-11)20(36)27-17(12-3-5-14(34)6-4-12)21(37)28-18-22(38)33-19(24(39)40)13(9-41-23(18)33)10-42-25-29-30-31-32(25)show more
    Synonyms
    CEFPIRAMIDE SODIUM [USAN] | cefpiramide, sodium salt | sodium (6R,7R)-7-(((2R)-2-(((4-hydroxy-6-methylpyridin-3-yl)ca...
  2. Cefpiramide sodium, Bacterial penicillin-binding protein inhibitor
    CAS: 74849-93-7 Formula: C25H23N8O7S2•Na Molecular Weight: 634.62
    10mM in DMSO
    ◐ .Made to order · 8–12 wks Item #: C425816
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    Technical Identifiers
    IUPAC Name
    sodium;(6R,7R)-7-[[(2R)-2-(4-hydroxyphenyl)-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-show more
    SMILES
    CC1=CC(=O)C(=CN1)C(=O)NC(C2=CC=C(C=C2)O)C(=O)NC3C4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)[O-].[Na+]
    InChIKey
    RIWWMGQFMUUYIY-ALLHVENQSA-M
    InChI
    1S/C25H24N8O7S2.Na/c1-11-7-16(35)15(8-26-11)20(36)27-17(12-3-5-14(34)6-4-12)21(37)28-18-22(38)33-19(24(39)40)13(9-41-23(18)33)10-42-25-29-30-31-32(25)show more
    Synonyms
    CEFPIRAMIDE SODIUM|74849-93-7|Suncefal|Cefpiramide sodium salt|Antibiotic SM 1652|WY-44,635 SODIUM|UNII-137KB7GYKB|Ce...
  3. Cefodizime sodium
    CAS: 86329-79-5 EC Number: 617-833-6 PubChem CID: 9852176 Formula: C20H18N6Na2O7S4 Molecular Weight: 628.63
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: C426404
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    IUPAC Name
    disodium;(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[[5-(carboxylatomethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]show more
    SMILES
    CC1=C(SC(=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)[O-])CC(=O)[O-].[Na+].[Na+]
    InChIKey
    WBOBLQIRACJNPA-AEKYOGSZSA-L
    InChI
    1S/C20H20N6O7S4.2Na/c1-7-10(3-11(27)28)37-20(22-7)36-5-8-4-34-17-13(16(30)26(17)14(8)18(31)32)24-15(29)12(25-33-2)9-6-35-19(21)23-9;;/h6,13,17H,3-5H2,show more
    Synonyms
    cefodizime sodium|86329-79-5|CEFODIZIME DISODIUM|Cefodizime disodium salt|THR-221|Cefodizime Sodium [JAN]|DTXSID90467...
  4. Cefodizime sodium
    CAS: 86329-79-5 PubChem CID: 9852176 Formula: C20H18N6Na2O7S4 Molecular Weight: 628.63
    ● In Stock — US warehouse, ships to EU* Item #: C304786
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    Technical Identifiers
    IUPAC Name
    disodium;(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[[5-(carboxylatomethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]show more
    SMILES
    CC1=C(SC(=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)[O-])CC(=O)[O-].[Na+].[Na+]
    InChIKey
    WBOBLQIRACJNPA-AEKYOGSZSA-L
    InChI
    1S/C20H20N6O7S4.2Na/c1-7-10(3-11(27)28)37-20(22-7)36-5-8-4-34-17-13(16(30)26(17)14(8)18(31)32)24-15(29)12(25-33-2)9-6-35-19(21)23-9;;/h6,13,17H,3-5H2,show more
    Synonyms
    5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-3-((...
  5. Cefoperazone
    CAS: 62893-19-0 EC Number: 263-749-4 Formula: C25H27N9O8S2 Molecular Weight: 645.67
    Liquid 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 #: C408712
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    Technical Identifiers
    Synonyms
    (6R,​7R)​-7-​[[(2R)​-​2-​[[(4-​ethyl-​2,​3-​dioxo-​1-​piperazinyl)​carbonyl]​amino]​-​2-​(4-​hydroxyphenyl)​acetyl]​a...
  6. Ceftaroline Fosamil
    CAS: 400827-46-5 EC Number: 805-487-0 Formula: C24H25N8O10PS4 Molecular Weight: 744.74
    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 #: C413097
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    IUPAC Name
    (6R,7R)-7-[[(2Z)-2-ethoxyimino-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acetyl]amino]-3-[[4-(1-methylpyridin-1-ium-4-yl)-1,3-thiazol-2-yl]sulfanyl]show more
    SMILES
    CCON=C(C1=NSC(=N1)NP(=O)(O)O)C(=O)NC2C3N(C2=O)C(=C(CS3)SC4=NC(=CS4)C5=CC=[N+](C=C5)C)C(=O)O.CC(=O)[O-]
    InChIKey
    UGHHNQFYEVOFIV-VRDMTWHKSA-N
    InChI
    1S/C22H21N8O8PS4.C2H4O2/c1-3-38-26-13(16-25-21(43-28-16)27-39(35,36)37)17(31)24-14-18(32)30-15(20(33)34)12(9-40-19(14)30)42-22-23-11(8-41-22)10-4-6-29show more
    Synonyms
    UNII-EZ9W6O5S09 | Ceftaroline fosamil acetate anhydrous | Ceftaroline fosamil | DTXSID50193133 | EZ9W6O5S09 | TAK 599...
  7. Ceftazidime Methyl Ester
    CAS: 1354396-23-8 PubChem CID: 71314621 Formula: C23H24N6O7S2 Molecular Weight: 560.6
    ● In Stock — US warehouse, ships to EU* Item #: C346906
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    Technical Identifiers
    IUPAC Name
    (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(1-methoxy-2-methyl-1-oxopropan-2-yl)oxyiminoacetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1show more
    SMILES
    CC(C)(C(=O)OC)ON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC=C4)C(=O)[O-]
    InChIKey
    SQQLCFFMLJEMPT-CDOVDWRASA-N
    InChI
    1S/C23H24N6O7S2/c1-23(2,21(34)35-3)36-27-14(13-11-38-22(24)25-13)17(30)26-15-18(31)29-16(20(32)33)12(10-37-19(15)29)9-28-7-5-4-6-8-28/h4-8,11,15,19H,9show more
    Synonyms
    DTXSID20159347 | (6R,7R)-7-(((2Z)-2-(2-Aminothiazol-4-yl)-2-((2-methoxy-1,1-dimethyl-2-oxoethoxy)imino)acetyl)amino)-...
  8. Ceftezole sodium
    CAS: 41136-22-5 Formula: C13H11N8NaO4S3 Molecular Weight: 462.46
    ● In Stock — US warehouse, ships to EU* Item #: C413271
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    Technical Identifiers
    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...
  9. Celastrol (NSC 70931), Inhibitor of regulator of G-protein signaling 17
    CAS: 34157-83-0 EC Number: 636-472-5 Formula: C29H38O4 Molecular Weight: 450.61
    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 #: C408328
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    Synonyms
    Tripterine | (2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,1...
  10. Cefteram Pivoxil
    CAS: 82547-81-7 PubChem CID: 5362114 Formula: C22H27N9O7S2 Molecular Weight: 593.64
    ◐ .Made to order · 8–12 wks Item #: C351760
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    IUPAC Name
    2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(5-methyltetrazol-2-yl)methyl]-8-oxo-5-thishow more
    SMILES
    CC1=NN(N=N1)CC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)OCOC(=O)C(C)(C)C
    InChIKey
    UIYAXIPXULMHAI-JLGRZTKVSA-N
    InChI
    1S/C22H27N9O7S2/c1-10-26-29-30(27-10)6-11-7-39-18-14(25-16(32)13(28-36-5)12-8-40-21(23)24-12)17(33)31(18)15(11)19(34)37-9-38-20(35)22(2,3)4/h8,14,18H,show more
    Synonyms
    DTXSID4020876 | Tomiron (TN) | CEFTERAM PIVOXIL [MART.] | Tomiron | 5-Chloro-2-aminotoluene | 5-THIA-1-AZABICYCLO(4.2...
  11. Ceftezole
    CAS: 26973-24-0 EC Number: 608-028-0 Formula: C13H12N8O4S3 Molecular Weight: 440.48
    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 #: C422950
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    Technical Identifiers
    IUPAC Name
    (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-carboxylic acid
    SMILES
    C1C(=C(N2C(S1)C(C2=O)NC(=O)CN3C=NN=N3)C(=O)O)CSC4=NN=CS4
    InChIKey
    DZMVCVMFETWNIU-LDYMZIIASA-N
    InChI
    1S/C13H12N8O4S3/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)/t8-,11-/m1/show more
    Synonyms
    Ceftezole|26973-24-0|Ceftezol|Ceftezolum|Ceftezole [INN]|CG-B 3 Q|Ceftezol [INN-Spanish]|Ceftezolum [INN-Latin]|UNII-...
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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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