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. Cefdinir
    CAS: 91832-40-5 EC Number: 643-088-1 Formula: C14H13N5O5S2 Molecular Weight: 395.41
    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 #: C407774
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    Synonyms
    FK 482, PD 134393, CI-983 | (6R,​7R)​-7-​[[(2Z)​-​2-​(2-​amino-​4-​thiazolyl)​-​2-​(hydroxyimino)​acetyl]​amino]​-​3-�...
  2. Cefazedone
    CAS: 56187-47-4 EC Number: 611-363-5 Formula: C18H15Cl2N5O5S3 Molecular Weight: 548.45
    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 #: C424760
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    IUPAC Name
    (6R,7R)-7-[[2-(3,5-dichloro-4-oxopyridin-1-yl)acetyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-eshow more
    SMILES
    CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)CN4C=C(C(=O)C(=C4)Cl)Cl)SC2)C(=O)O
    InChIKey
    VTLCNEGVSVJLDN-MLGOLLRUSA-N
    InChI
    1S/C18H15Cl2N5O5S3/c1-7-22-23-18(33-7)32-6-8-5-31-16-12(15(28)25(16)13(8)17(29)30)21-11(26)4-24-2-9(19)14(27)10(20)3-24/h2-3,12,16H,4-6H2,1H3,(H,21,26show more
    Synonyms
    A936727 | D07237 | BRN 1097746 | Cefazedone (*sodium salt*) | UNII-7Y86X0D799 | (6R,7R)-7-[[2-(3,5-dichloro-4-oxo-1-p...
  3. Cefditoren Pivoxil, Bacterial penicillin-binding protein inhibitor
    CAS: 117467-28-4 EC Number: 688-157-7 Formula: C25H28N6O7S3 Molecular Weight: 620.71
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: C408804
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    Synonyms
    ME-1207 | (6R,​7R)​-7-​[[(2Z)​-​2-​(2-​amino-​4-​thiazolyl)​-​2-​(methoxyimino)​acetyl]​amino]​-​3-​[(1Z)​-​2-​(4-​me...
  4. Cefetamet pivoxil hydrochloride
    CAS: 111696-23-2 PubChem CID: 5489410 Formula: C20H26ClN5O7S2 Molecular Weight: 548.03
    The content of ceftazidime was ≥69%
    ● In Stock — US warehouse, ships to EU* Item #: C348078
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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-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-show more
    SMILES
    CC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)SC1)C(=O)OCOC(=O)C(C)(C)C.Cl
    InChIKey
    XAAOHMIKXULDKJ-IZXJIOGHSA-N
    InChI
    1S/C20H25N5O7S2.ClH/c1-9-6-33-16-12(23-14(26)11(24-30-5)10-7-34-19(21)22-10)15(27)25(16)13(9)17(28)31-8-32-18(29)20(2,3)4;/h7,12,16H,6,8H2,1-5H3,(H2,2show more
    Synonyms
    AKOS025311433 | Ceftamet Pivoxil | CEMT-PI | s4865 | Cefetamet pivoxil hydrochloride | D01629 | 2,2-dimethylpropanoyl...
  5. Cefetamet pivoxil hydrochloride
    CAS: 111696-23-2 PubChem CID: 5489410 Formula: C20H26ClN5O7S2 Molecular Weight: 548.03
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: C420629
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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-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-show more
    SMILES
    CC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)SC1)C(=O)OCOC(=O)C(C)(C)C.Cl
    InChIKey
    XAAOHMIKXULDKJ-IZXJIOGHSA-N
    InChI
    1S/C20H25N5O7S2.ClH/c1-9-6-33-16-12(23-14(26)11(24-30-5)10-7-34-19(21)22-10)15(27)25(16)13(9)17(28)31-8-32-18(29)20(2,3)4;/h7,12,16H,6,8H2,1-5H3,(H2,2show more
    Synonyms
    AKOS025311433 | Ceftamet Pivoxil | CEMT-PI | s4865 | Cefetamet pivoxil hydrochloride | D01629 | 2,2-dimethylpropanoyl...
  6. Cefminox Sodium
    CAS: 75498-96-3 PubChem CID: 23663397 Formula: C16H20N7NaO7S3 Molecular Weight: 541.56
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: C425839
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    IUPAC Name
    sodium;(6R,7S)-7-[[2-[(2S)-2-amino-2-carboxyethyl]sulfanylacetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[show more
    SMILES
    CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)(NC(=O)CSCC(C(=O)O)N)OC)SC2)C(=O)[O-].[Na+]
    InChIKey
    SBIDXLKJYJVQOE-YNJMIPHHSA-M
    InChI
    1S/C16H21N7O7S3.Na/c1-22-15(19-20-21-22)33-4-7-3-32-14-16(30-2,13(29)23(14)10(7)12(27)28)18-9(24)6-31-5-8(17)11(25)26;/h8,14H,3-6,17H2,1-2H3,(H,18,24)show more
    Synonyms
    AKOS015994686 | Cefminox (sodium) | sodium (6R,7S)-7-(2-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}acetamido)-7-methoxy-3...
  7. Ceftriaxone Sodium
    CAS: 74578-69-1 Formula: C18H16N8Na2O7S3 Molecular Weight: 598.54
    10mM in DMSO
    ◐ .Made to order · 8–12 wks Item #: C425803
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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-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-show more
    SMILES
    CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)[O-].[Na+]
    InChIKey
    YOBPSXOHCHDCMU-VKZZUTNHSA-M
    InChI
    1S/C18H18N8O7S3.Na/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7;/h5,9,15H,3-4H2,1-2H3show more
    Synonyms
    CEFTRIAXONE SODIUM|ceftriaxone|74578-69-1|104376-79-6|[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxym...
  8. Cefuroxime Axetil Impurity C
    CAS: 76598-06-6 PubChem CID: 71587280 Formula: C18H15Cl3N4O9S Molecular Weight: 569.76
    ● In Stock — US warehouse, ships to EU* Item #: C346898
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    IUPAC Name
    (6R,7R)-7-[[(2Z)-2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-[(2,2,2-trichloroacetyl)carbamoyloxymethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-show more
    SMILES
    CON=C(C1=CC=CO1)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)NC(=O)C(Cl)(Cl)Cl)C(=O)O
    InChIKey
    BGPGYDOAMAGXIO-HOYKSXRLSA-N
    InChI
    1S/C18H15Cl3N4O9S/c1-32-24-9(8-3-2-4-33-8)12(26)22-10-13(27)25-11(15(28)29)7(6-35-14(10)25)5-34-17(31)23-16(30)18(19,20)21/h2-4,10,14H,5-6H2,1H3,(H,22show more
    Synonyms
    (6R,7R)-7-[[(2Z)-2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-[(2,2,2-trichloroacetyl)carbamoyloxymethyl]-5-thi...
  9. Cefuroxime axetil, Bacterial penicillin-binding protein inhibitor
    CAS: 64544-07-6 EC Number: 638-760-6 Formula: C20H22N4O10S Molecular Weight: 510.47
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: C425272
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    IUPAC Name
    1-acetyloxyethyl (6R,7R)-3-(carbamoyloxymethyl)-7-[[(2Z)-2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxshow more
    SMILES
    CC(OC(=O)C)OC(=O)C1=C(CSC2N1C(=O)C2NC(=O)C(=NOC)C3=CC=CO3)COC(=O)N
    InChIKey
    KEJCWVGMRLCZQQ-YJBYXUATSA-N
    InChI
    1S/C20H22N4O10S/c1-9(25)33-10(2)34-19(28)15-11(7-32-20(21)29)8-35-18-14(17(27)24(15)18)22-16(26)13(23-30-3)12-5-4-6-31-12/h4-6,10,14,18H,7-8H2,1-3H3,(show more
    Synonyms
    CEFUROXIME 1-ACETOXYETHYL ESTER [MI] | cefuroxime axetil | Sharox-500 | 5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXY...
  10. Cefuroxime sodium salt, Bacterial penicillin-binding protein inhibitor
    CAS: 56238-63-2 EC Number: 260-073-1 Formula: C16H15N4NaO8S Molecular Weight: 446.37
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: C424763
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    IUPAC Name
    sodium;(6R,7R)-3-(carbamoyloxymethyl)-7-[[(2Z)-2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
    SMILES
    CON=C(C1=CC=CO1)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)[O-].[Na+]
    InChIKey
    URDOHUPGIOGTKV-JTBFTWTJSA-M
    InChI
    1S/C16H16N4O8S.Na/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20;/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,show more
    Synonyms
    CEFUROXIME SODIUM|Sodium cefuroxime|Anaptivan|Biociclin|Cefuroxime sodium salt|Zinacef|56238-63-2|Colifossim|Spectraz...
  11. Cefotiam Hexetil Hydrochloride
    CAS: 95789-30-3 EC Number: 680-797-5 PubChem CID: 175647 Formula: C27H39Cl2N9O7S3 Molecular Weight: 768.76
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: C427128
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    IUPAC Name
    1-cyclohexyloxycarbonyloxyethyl (6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-[[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylmethyl]-8-oxshow more
    SMILES
    CC(OC(=O)C1=C(CSC2N1C(=O)C2NC(=O)CC3=CSC(=N3)N)CSC4=NN=NN4CCN(C)C)OC(=O)OC5CCCCC5.Cl.Cl
    InChIKey
    FFSANQNELHESQJ-LWBICVDYSA-N
    InChI
    1S/C27H37N9O7S3.2ClH/c1-15(42-27(40)43-18-7-5-4-6-8-18)41-24(39)21-16(13-46-26-31-32-33-35(26)10-9-34(2)3)12-44-23-20(22(38)36(21)23)30-19(37)11-17-14show more
    Synonyms
    cefotiam 1-(cyclohexyloxycarbonyloxy)ethyl ester dihydrochloride | 5-23-01-00042 (Beilstein Handbook Reference) | 5-T...
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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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