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. Captopril Disulfide
    CAS: 64806-05-9 EC Number: 613-693-5 Formula: C18H28N2O6S2 Molecular Weight: 432.55
    ◐ .Made to order · 8–12 wks Item #: C331359
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    IUPAC Name
    (2S)-1-[(2S)-3-[[(2S)-3-[(2S)-2-carboxypyrrolidin-1-yl]-2-methyl-3-oxopropyl]disulfanyl]-2-methylpropanoyl]pyrrolidine-2-carboxylic acid
    SMILES
    CC(CSSCC(C)C(=O)N1CCCC1C(=O)O)C(=O)N2CCCC2C(=O)O
    InChIKey
    ZWKRXBCJAUKDCI-MQYQWHSLSA-N
    InChI
    1S/C18H28N2O6S2/c1-11(15(21)19-7-3-5-13(19)17(23)24)9-27-28-10-12(2)16(22)20-8-4-6-14(20)18(25)26/h11-14H,3-10H2,1-2H3,(H,23,24)(H,25,26)/t11-,12-,13+show more
    Synonyms
    HY-123068 | HMS1673B03 | Y21D2C2453 | AKOS028112522 | L-Proline, 1,1'-(dithiobis(2-methyl-1-oxo-3,1-propanediyl))bis-...
  2. Captopril-d3
    CAS: 1356383-38-4 Formula: C9H12NO3SD3 Molecular Weight: 220.31
    ◐ .Made to order · 8–12 wks Item #: C334934
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    IUPAC Name
    (2S)-2,5,5-trideuterio-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid
    SMILES
    CC(CS)C(=O)N1CCCC1C(=O)O
    InChIKey
    FAKRSMQSSFJEIM-SIHDFBQLSA-N
    InChI
    1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1/i4D2,7D
    Synonyms
    HY-B0368S | 1356383-38-4 | (2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl](2,5,5-?H?)pyrrolidine-2-carboxylic acid | (2S)-...
  3. Caramel
    CAS: 8028-89-5 Formula: C7H10O2 Molecular Weight: 126.15
    Reagent Grade ? General reagent-grade purity suitable for most laboratory work. Use as a dependable default when no specific higher grade is required.
    ● In Stock — US warehouse, ships to EU* Item #: C304687
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    IUPAC Name
    3,5-dimethylcyclopentane-1,2-dione
    SMILES
    CC1CC(C(=O)C1=O)C
    InChIKey
    MIDXCONKKJTLDX-UHFFFAOYSA-N
    InChI
    1S/C7H10O2/c1-4-3-5(2)7(9)6(4)8/h4-5H,3H2,1-2H3
    Synonyms
    3,5-Dimethyl-1, 2-cyclopentanedione | NCGC00256668-01 | CARAMEL COLOR A | W-108275 | DTXCID8027660 | AS-61756 | EN300...
  4. Cambendazole
    CAS: 26097-80-3 Formula: C14H14N4O2S Molecular Weight: 302.35
    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 #: C347195
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    IUPAC Name
    propan-2-yl N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]carbamate
    SMILES
    CC(C)OC(=O)NC1=CC2=C(C=C1)N=C(N2)C3=CSC=N3
    InChIKey
    QZWHWHNCPFEXLL-UHFFFAOYSA-N
    InChI
    1S/C14H14N4O2S/c1-8(2)20-14(19)16-9-3-4-10-11(5-9)18-13(17-10)12-6-21-7-15-12/h3-8H,1-2H3,(H,16,19)(H,17,18)
    Synonyms
    079X63S3DU | CAMBENDAZOLE [MART.] | Cambendazole 100 microg/mL in Acetonitrile | MFCD00864552 | QZWHWHNCPFEXLL-UHFFFA...
  5. Cambendazole-d7
    CAS: 1228182-48-6 Formula: C14H7D7N4O2S Molecular Weight: 309.39
    ◐ .Made to order · 8–12 wks Item #: C347194
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    Technical Identifiers
    IUPAC Name
    1,1,1,2,3,3,3-heptadeuteriopropan-2-yl N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]carbamate
    SMILES
    CC(C)OC(=O)NC1=CC2=C(C=C1)N=C(N2)C3=CSC=N3
    InChIKey
    QZWHWHNCPFEXLL-UNAVHCQLSA-N
    InChI
    1S/C14H14N4O2S/c1-8(2)20-14(19)16-9-3-4-10-11(5-9)18-13(17-10)12-6-21-7-15-12/h3-8H,1-2H3,(H,16,19)(H,17,18)/i1D3,2D3,8D
    Synonyms
    1,1,1,2,3,3,3-heptadeuteriopropan-2-yl N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]carbamate | 1228182-48-6 | Camben...
  6. Cambinol
    CAS: 14513-15-6 EC Number: 634-301-9 Formula: C21H16N2O2S Molecular Weight: 360.43
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: C421667
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    IUPAC Name
    5-[(2-hydroxynaphthalen-1-yl)methyl]-6-phenyl-2-sulfanylidene-1H-pyrimidin-4-one
    SMILES
    C1=CC=C(C=C1)C2=C(C(=O)NC(=S)N2)CC3=C(C=CC4=CC=CC=C43)O
    InChIKey
    RVNSQVIUFZVNAU-UHFFFAOYSA-N
    InChI
    1S/C21H16N2O2S/c24-18-11-10-13-6-4-5-9-15(13)16(18)12-17-19(14-7-2-1-3-8-14)22-21(26)23-20(17)25/h1-11,24H,12H2,(H2,22,23,25,26)
    Synonyms
    SCHEMBL2538372 | SIRT1/2 Inhibitor IV, Cambinol | BDBM29040 | C3535 | A858236 | SIRT 1/2 inhibitor IV; NSC112546; NSC...
  7. Carbamoyl-DL-alanine
    CAS: 77340-50-2 EC Number: 832-468-4 Formula: C4H8N2O3 Molecular Weight: 132.11
    ● In Stock — US warehouse, ships to EU* Item #: C348595
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    IUPAC Name
    2-(carbamoylamino)propanoic acid
    SMILES
    CC(C(=O)O)NC(=O)N
    InChIKey
    LUSWEUMSEVLFEQ-UHFFFAOYSA-N
    InChI
    1S/C4H8N2O3/c1-2(3(7)8)6-4(5)9/h2H,1H3,(H,7,8)(H3,5,6,9)
    Synonyms
    FT-0770384 | VS-08624 | AKOS000264034 | N-Carbamyl-DL-alanine | STL373946 | Z56858169 | AKOS016879473 | EN300-00271 |...
  8. Candesartan-d4
    CAS: 1346604-70-3 Formula: C24H16D4N6O3 Molecular Weight: 444.48
    ◐ .Made to order · 8–12 wks Item #: C347190
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    IUPAC Name
    2-ethoxy-3-[[2,3,5,6-tetradeuterio-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid
    SMILES
    CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O
    InChIKey
    HTQMVQVXFRQIKW-ZGAVCIBUSA-N
    InChI
    1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,show more
    Synonyms
    2-Ethoxy-1-[[2′-(1H-tetrazol-5-yl)[1-(phenyl-d4)-1′-phenyl]-4-yl]methyl]-1H-benzimidazole-7-carboxylic Acid
  9. Carbamazepine, Sodium channel alpha subunit blocker
    CAS: 298-46-4 EC Number: 206-062-7 Formula: C15H12N2O Molecular Weight: 236.27
    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 #: C407797
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    Synonyms
    NSC 169864 | 5H-​Dibenz[b,​f]​azepine-​5-​carboxamide
  10. Cancidas, 1,3-beta-glucan synthase inhibitor
    CAS: 179463-17-3 EC Number: 605-859-0 PubChem CID: 6850808 Formula: C56H96N10O19 Molecular Weight: 1213.42
    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 #: C305219
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    IUPAC Name
    acetic acid;N-[(3S,6S,9S,11R,15S,18S,20R,21S,24S,25S)-21-(2-aminoethylamino)-3-[(1R)-3-amino-1-hydroxypropyl]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxypheshow more
    SMILES
    CCC(C)CC(C)CCCCCCCCC(=O)NC1CC(C(NC(=O)C2C(CCN2C(=O)C(NC(=O)C(NC(=O)C3CC(CN3C(=O)C(NC1=O)C(C)O)O)C(C(C4=CC=C(C=C4)O)O)O)C(CCN)O)O)NCCN)O.CC(=O)O.CC(=O)show more
    InChIKey
    OGUJBRYAAJYXQP-LLXMLGLCSA-N
    InChI
    1S/C52H88N10O15.2C2H4O2/c1-5-28(2)24-29(3)12-10-8-6-7-9-11-13-39(69)56-34-26-38(68)46(55-22-21-54)60-50(75)43-37(67)19-23-61(43)52(77)41(36(66)18-20-5show more
    Synonyms
    D02501 | MK-0991 | MK-0991 (Acetate);L-743872 (Acetate) | L 743872 | OGUJBRYAAJYXQP-LLXMLGLCSA-N | MK 0991 | Caspofun...
  11. Capromorelin tartrate
    CAS: 193273-69-7 EC Number: 110-650-8 PubChem CID: 9852610 Formula: C32H41N5O10 Molecular Weight: 655.7
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: C422360
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    IUPAC Name
    N-[(2R)-1-[(3aR)-3a-benzyl-2-methyl-3-oxo-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-oxo-3-phenylmethoxypropan-2-yl]-2-amino-2-methylpropanamide;(2show more
    SMILES
    CC(C)(C(=O)NC(COCC1=CC=CC=C1)C(=O)N2CCC3=NN(C(=O)C3(C2)CC4=CC=CC=C4)C)N.C(C(C(=O)O)O)(C(=O)O)O
    InChIKey
    MJGRJCMGMFLOET-MYPSAZMDSA-N
    InChI
    1S/C28H35N5O4.C4H6O6/c1-27(2,29)25(35)30-22(18-37-17-21-12-8-5-9-13-21)24(34)33-15-14-23-28(19-33,26(36)32(3)31-23)16-20-10-6-4-7-11-20;5-1(3(7)8)2(6)show more
    Synonyms
    193273-69-7 (tartrate) | Capromorelin tartrate [USAN] | D03373 | PROPANAMIDE, 2-AMINO-N-(2-(2,3,3A,4,6,7-HEXAHYDRO-2-...
  12. Capromorelin tartrate
    CAS: 193273-69-7 PubChem CID: 9852610 Formula: C32H41N5O10 Molecular Weight: 655.7
    ● In Stock — US warehouse, ships to EU* Item #: C412217
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    Technical Identifiers
    IUPAC Name
    N-[(2R)-1-[(3aR)-3a-benzyl-2-methyl-3-oxo-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-oxo-3-phenylmethoxypropan-2-yl]-2-amino-2-methylpropanamide;(2show more
    SMILES
    CC(C)(C(=O)NC(COCC1=CC=CC=C1)C(=O)N2CCC3=NN(C(=O)C3(C2)CC4=CC=CC=C4)C)N.C(C(C(=O)O)O)(C(=O)O)O
    InChIKey
    MJGRJCMGMFLOET-MYPSAZMDSA-N
    InChI
    1S/C28H35N5O4.C4H6O6/c1-27(2,29)25(35)30-22(18-37-17-21-12-8-5-9-13-21)24(34)33-15-14-23-28(19-33,26(36)32(3)31-23)16-20-10-6-4-7-11-20;5-1(3(7)8)2(6)show more
    Synonyms
    193273-69-7 (tartrate) | Capromorelin tartrate [USAN] | D03373 | PROPANAMIDE, 2-AMINO-N-(2-(2,3,3A,4,6,7-HEXAHYDRO-2-...
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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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