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. Cav 2.2 blocker 1
    CAS: 1567335-29-8 Formula: C25H29ClN2O2 Molecular Weight: 424.96
    ● In Stock — US warehouse, ships to EU* Item #: C412110
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    IUPAC Name
    5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyloxan-4-yl)pyrazole
    SMILES
    CC1(CC(CC(O1)(C)C)C2=NN(C(=C2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4OC)C
    InChIKey
    LDURKOGJFOYENC-UHFFFAOYSA-N
    InChI
    1S/C25H29ClN2O2/c1-24(2)15-18(16-25(3,4)30-24)20-14-22(17-10-12-19(26)13-11-17)28(27-20)21-8-6-7-9-23(21)29-5/h6-14,18H,15-16H2,1-5H3
    Synonyms
    compound 91H-​Pyrazole,5-​(4-​chlorophenyl)​-​1-​(2-​methoxyphenyl)​-​3-​(tetrahydro-​2,​2,​6,​6-​tetramethyl-​2H-​py...
  2. Cefdinir
    CAS: 91832-40-5 EC Number: 643-088-1 Formula: C14H13N5O5S2 Molecular Weight: 395.41
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥97%(HPLC)
    ● In Stock — US warehouse, ships to EU* Item #: C129963
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    IUPAC Name
    (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    SMILES
    C=CC1=C(N2C(C(C2=O)NC(=O)C(=NO)C3=CSC(=N3)N)SC1)C(=O)O
    InChIKey
    RTXOFQZKPXMALH-GHXIOONMSA-N
    InChI
    1S/C14H13N5O5S2/c1-2-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24)6-4-26-14(15)16-6/h2,4,8,12,24H,1,3H2,(H2,15,16)(H,17,20)(H,22,23)/b18-7-/tshow more
    Synonyms
    (6R,7R)-7-(((2Z)-(2-AMINO-4-THIAZOLYL)(HYDROXYIMINO)ACETYL)AMINO)-3-ETHENYL-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE...
  3. Catechol-d4
    CAS: 103963-58-2 EC Number: 808-425-0 Formula: C6H2D4O2 Molecular Weight: 114.14
    ● In Stock — US warehouse, ships to EU* Item #: C347165
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    IUPAC Name
    3,4,5,6-tetradeuteriobenzene-1,2-diol
    SMILES
    C1=CC=C(C(=C1)O)O
    InChIKey
    YCIMNLLNPGFGHC-RHQRLBAQSA-N
    InChI
    1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H/i1D,2D,3D,4D
    Synonyms
    1,2-Benzene-3,4,5,6-d4-diol | 1,2-Benzenediol-d4 | Pyrocatechol-d4 | 1,2-Dihydroxybenzene-d4 | 2-Hydroxyphenol-d4 | O...
  4. Catharanthine
    CAS: 2468-21-5 EC Number: 219-586-6 PubChem CID: 5458190 Formula: C21H24N2O2 Molecular Weight: 336.43
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: C408155
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    Synonyms
    Ibogamine-18-carboxylic acid, 3,4-didehydro-, methyl ester, (2α,5β,6α,18β)-
  5. Cathepsin Inhibitor 1
    CAS: 225120-65-0 PubChem CID: 44224135 Formula: C20H24ClN5O2 Molecular Weight: 401.89
    Solid ≥99%
    ● In Stock — US warehouse, ships to EU* Item #: C129408
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    IUPAC Name
    5-tert-butyl-N-[(2S)-3-(3-chlorophenyl)-1-(cyanomethylamino)-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide
    SMILES
    CC(C)(C)C1=NN(C(=C1)C(=O)NC(CC2=CC(=CC=C2)Cl)C(=O)NCC#N)C
    InChIKey
    MZRVIHRERYCHBL-HNNXBMFYSA-N
    InChI
    1S/C20H24ClN5O2/c1-20(2,3)17-12-16(26(4)25-17)19(28)24-15(18(27)23-9-8-22)11-13-6-5-7-14(21)10-13/h5-7,10,12,15H,9,11H2,1-4H3,(H,23,27)(H,24,28)/t15-/show more
    Synonyms
    1H-Pyrazole-5-carboxamide, N-[(1S)-1-[(3-chlorophenyl)methyl]-2-[(cyanomethyl)amino]-2-oxoethyl]-3-(1,1-dimethylethyl...
  6. Caudatin
    CAS: 38395-02-7 Formula: C28H42O7 Molecular Weight: 490.63
    ● In Stock — US warehouse, ships to EU* Item #: C412877
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    IUPAC Name
    [(3S,8S,9R,10R,12R,13S,14R,17R)-17-acetyl-3,8,14,17-tetrahydroxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] (E)-3show more
    SMILES
    CC(C)C(=CC(=O)OC1CC2C3(CCC(CC3=CCC2(C4(C1(C(CC4)(C(=O)C)O)C)O)O)O)C)C
    InChIKey
    VWLXIXALPNYWFH-UBHIOMQOSA-N
    InChI
    1S/C28H42O7/c1-16(2)17(3)13-23(31)35-22-15-21-24(5)9-8-20(30)14-19(24)7-10-27(21,33)28(34)12-11-26(32,18(4)29)25(22,28)6/h7,13,16,20-22,30,32-34H,8-12show more
    Synonyms
    CauldatinPregn-​5-​en-​20-​one,12-​[[(2E)​-​3,​4-​dimethyl-​1-​oxo-​2-​pentenyl]​oxy]​-​3,​8,​14,​17-​tetrahydroxy-​,(...
  7. Caudatin
    CAS: 38395-02-7 Formula: C28H42O7 Molecular Weight: 490.63
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: C423778
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    IUPAC Name
    [(3S,8S,9R,10R,12R,13S,14R,17R)-17-acetyl-3,8,14,17-tetrahydroxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] (E)-3show more
    SMILES
    CC(C)C(=CC(=O)OC1CC2C3(CCC(CC3=CCC2(C4(C1(C(CC4)(C(=O)C)O)C)O)O)O)C)C
    InChIKey
    VWLXIXALPNYWFH-UBHIOMQOSA-N
    InChI
    1S/C28H42O7/c1-16(2)17(3)13-23(31)35-22-15-21-24(5)9-8-20(30)14-19(24)7-10-27(21,33)28(34)12-11-26(32,18(4)29)25(22,28)6/h7,13,16,20-22,30,32-34H,8-12show more
    Synonyms
    CauldatinPregn-​5-​en-​20-​one,12-​[[(2E)​-​3,​4-​dimethyl-​1-​oxo-​2-​pentenyl]​oxy]​-​3,​8,​14,​17-​tetrahydroxy-​,(...
  8. Cefazolin
    CAS: 25953-19-9 EC Number: 247-362-8 Formula: C14H14N8O4S3 Molecular Weight: 454.51
    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 #: C422908
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    IUPAC Name
    (6R,7R)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic ashow more
    SMILES
    CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)CN4C=NN=N4)SC2)C(=O)O
    InChIKey
    MLYYVTUWGNIJIB-BXKDBHETSA-N
    InChI
    1S/C14H14N8O4S3/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26)/t9-,12-show more
    Synonyms
    NCGC00159465-02 | Cephazolin | CEFAZOLIN [HSDB] | Cefazoline (INN-French) | DivK1c_000014 | J01DB04 | KBio2_003114 | ...
  9. Cefdaloxime
    CAS: 80195-36-4 PubChem CID: 9571072 Formula: C14H15N5O6S2 Molecular Weight: 413.43
    ◐ .Made to order · 8–12 wks Item #: C346887
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    Technical Identifiers
    IUPAC Name
    (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acishow more
    SMILES
    COCC1=C(N2C(C(C2=O)NC(=O)C(=NO)C3=CSC(=N3)N)SC1)C(=O)O
    InChIKey
    HOGISBSFFHDTRM-GHXIOONMSA-N
    InChI
    1S/C14H15N5O6S2/c1-25-2-5-3-26-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24)6-4-27-14(15)16-6/h4,8,12,24H,2-3H2,1H3,(H2,15,16)(H,17,20)(H,22,23)/b18show more
    Synonyms
    (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(hydroxyimino)acetyl]amino}-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyc...
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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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