Targets & Pathways

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).

136,943 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

2,815

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.

Products

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  1. N-(6-chloro-1H-1,3-benzodiazol-2-yl)guanidine
    CAS: 70590-32-8 PubChem CID: 408159 Formula: C8H8ClN5 Molecular Weight: 209.63
    ◐ Made to order · 8–12 wks Item #: N669678
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    Technical Identifiers
    IUPAC Name
    2-(6-chloro-1H-benzimidazol-2-yl)guanidine
    SMILES
    NC(=N)NC1NC2C(=CC=C(Cl)C=2)N=1
    InChIKey
    IFYPQHGXCVZZMW-UHFFFAOYSA-N
    InChI
    1S/C8H8ClN5/c9-4-1-2-5-6(3-4)13-8(12-5)14-7(10)11/h1-3H,(H5,10,11,12,13,14)
  2. Rotigotine
    CAS: 92206-54-7 PubChem CID: 57537 Formula: C19H25NOS Molecular Weight: 315.48
    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%
    ● In Stock — US warehouse, ships to EU* Item #: P669698
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    Technical Identifiers
    IUPAC Name
    6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
    SMILES
    CCCN(CCC1SC=CC=1)C2CC3C(CC2)=C(O)C=CC=3
    InChIKey
    KFQYTPMOWPVWEJ-UHFFFAOYSA-N
    InChI
    1S/C19H25NOS/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21/h3-7,13,16,21H,2,8-12,14H2,1H3
    Synonyms
    (Rac)-Rotigotine|6-(Propyl(2-(thiophen-2-yl)ethyl)amino)-5,6,7,8-tetrahydronaphthalen-1-ol
  3. 7-chloro-1,3-benzothiazol-6-amine
    CAS: 70202-00-5 PubChem CID: 12479789 Formula: C7H5ClN2S Molecular Weight: 184.65
    ◐ Made to order · 8–12 wks Item #: C669602
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    Technical Identifiers
    IUPAC Name
    7-chloro-1,3-benzothiazol-6-amine
    SMILES
    NC1C(Cl)=C2C(N=CS2)=CC=1
    InChIKey
    VZJOLXNLUGOOQR-UHFFFAOYSA-N
    InChI
    1S/C7H5ClN2S/c8-6-4(9)1-2-5-7(6)11-3-10-5/h1-3H,9H2
  4. 6-{ethyl[4-(propan-2-yl)-3-(propan-2-yloxy)phenyl]amino}pyridine-3-carboxylic acid
    CAS: 1041186-79-1 PubChem CID: 24857921 Formula: C20H26N2O3 Molecular Weight: 342.4
    ◐ Made to order · 8–12 wks Item #: E669682
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    IUPAC Name
    6-(N-ethyl-4-propan-2-yl-3-propan-2-yloxyanilino)pyridine-3-carboxylic acid
    SMILES
    CC(C)OC1=C(C(C)C)C=CC(=C1)N(CC)C2N=CC(C(O)=O)=CC=2
    InChIKey
    YHELAIIDVSNOPG-UHFFFAOYSA-N
    InChI
    1S/C20H26N2O3/c1-6-22(19-10-7-15(12-21-19)20(23)24)16-8-9-17(13(2)3)18(11-16)25-14(4)5/h7-14H,6H2,1-5H3,(H,23,24)
  5. 6-bromo-1,4-dimethyl-1,2,3,4-tetrahydroquinoxaline-2,3-dione
    CAS: 1770-36-1 PubChem CID: 3720776 Formula: C10H9BrN2O2 Molecular Weight: 269.09
    ◐ Made to order · 8–12 wks Item #: B669607
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    Technical Identifiers
    IUPAC Name
    6-bromo-1,4-dimethylquinoxaline-2,3-dione
    SMILES
    BrC1C=C2C(=CC=1)N(C)C(=O)C(=O)N2C
    InChIKey
    JKFMIMJEBVNKOA-UHFFFAOYSA-N
    InChI
    1S/C10H9BrN2O2/c1-12-7-4-3-6(11)5-8(7)13(2)10(15)9(12)14/h3-5H,1-2H3
  6. N-(5-chloro-2-pyridyl)-N'-[(1S,2S,4R)-4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide
    CAS: 1255529-28-2 PubChem CID: 49822384 Formula: C24H30ClN7O4S Molecular Weight: 548.06
    ◐ Made to order · 8–12 wks Item #: N669622
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    Technical Identifiers
    IUPAC Name
    N'-(5-chloropyridin-2-yl)-N-[(1S,2S,4R)-4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxashow more
    SMILES
    ClC1C=NC(=CC=1)NC(=O)C(=O)N[C@@H]2[C@@H](NC(=O)C3=NC4=C(CN(C)CC4)S3)C[C@@H](CC2)C(=O)N(C)C
    InChIKey
    HGVDHZBSSITLCT-KMFMINBZSA-N
    InChI
    1S/C24H30ClN7O4S/c1-31(2)24(36)13-4-6-15(27-20(33)21(34)30-19-7-5-14(25)11-26-19)17(10-13)28-22(35)23-29-16-8-9-32(3)12-18(16)37-23/h5,7,11,13,15,17H,show more
  7. 6-fluoro-2-methyl-3-phenyl-3,4-dihydroquinazolin-4-one
    CAS: 49579-00-2 PubChem CID: 63240 Formula: C15H11FN2O Molecular Weight: 254.26
    ◐ Made to order · 8–12 wks Item #: F669645
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    Technical Identifiers
    IUPAC Name
    6-fluoro-2-methyl-3-phenylquinazolin-4-one
    SMILES
    FC1C=C2C(=O)N(C3=CC=CC=C3)C(C)=NC2=CC=1
    InChIKey
    RVFMPCRWAKDPTL-UHFFFAOYSA-N
    InChI
    1S/C15H11FN2O/c1-10-17-14-8-7-11(16)9-13(14)15(19)18(10)12-5-3-2-4-6-12/h2-9H,1H3
  8. 9,10-dihydroxy-3-isobutyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
    CAS: 89929-27-1 PubChem CID: 59272827 Formula: C17H23NO3 Molecular Weight: 289.4
    ◐ Made to order · 8–12 wks Item #: D669621
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    Technical Identifiers
    IUPAC Name
    9,10-dihydroxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
    SMILES
    CC(C)CC1C(=O)CC2C3C(CCN2C1)=CC(O)=C(O)C=3
    InChIKey
    HKXSWCIZVQFEQQ-UHFFFAOYSA-N
    InChI
    1S/C17H23NO3/c1-10(2)5-12-9-18-4-3-11-6-16(20)17(21)7-13(11)14(18)8-15(12)19/h6-7,10,12,14,20-21H,3-5,8-9H2,1-2H3
  9. ARN-6039
    CAS: 1675206-11-7 PubChem CID: 117940165 Formula: C21H21N2O3F3 Molecular Weight: 406.4
    ◐ Made to order · 8–12 wks Item #: A669839
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    Technical Identifiers
    IUPAC Name
    6-methoxy-5-morpholin-4-yl-2-[[3-(trifluoromethyl)pyridin-2-yl]methyl]-2,3-dihydroinden-1-one
    SMILES
    COC1=C(C=C2C(=C1)C(=O)C(CC3C(=CC=CN=3)C(F)(F)F)C2)N4CCOCC4
    InChIKey
    CQSDLVKTQRLMJB-UHFFFAOYSA-N
    InChI
    1S/C21H21F3N2O3/c1-28-19-12-15-13(11-18(19)26-5-7-29-8-6-26)9-14(20(15)27)10-17-16(21(22,23)24)3-2-4-25-17/h2-4,11-12,14H,5-10H2,1H3
  10. N-(1-ethyl-1H-pyrazol-4-yl)cyclopentanecarboxamide
    CAS: 1258740-53-2 EC Number: 847-944-7 PubChem CID: 51078639 Formula: C11H17N3O Molecular Weight: 207.27
    ◐ Made to order · 8–12 wks Item #: N669813
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    Technical Identifiers
    IUPAC Name
    N-(1-ethylpyrazol-4-yl)cyclopentanecarboxamide
    SMILES
    CCN1C=C(C=N1)NC(=O)C2CCCC2
    InChIKey
    GXDSBWMCMQHCOL-UHFFFAOYSA-N
    InChI
    1S/C11H17N3O/c1-2-14-8-10(7-12-14)13-11(15)9-5-3-4-6-9/h7-9H,2-6H2,1H3,(H,13,15)
  11. N-(5-chloro-2-pyridyl)-N'-[(1S,2S,4S)-4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide
    CAS: 1255529-27-1 PubChem CID: 49822305 Formula: C24H30N7O4SCl Molecular Weight: 548.1
    ◐ Made to order · 8–12 wks Item #: N669759
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    Technical Identifiers
    IUPAC Name
    N'-(5-chloropyridin-2-yl)-N-[(1S,2S,4S)-4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxashow more
    SMILES
    ClC1C=NC(=CC=1)NC(=O)C(=O)N[C@]2([H])[C@](NC(=O)C3=NC4=C(CN(C)CC4)S3)([H])C[C@](C(=O)N(C)C)([H])CC2
    InChIKey
    HGVDHZBSSITLCT-QRTARXTBSA-N
    InChI
    1S/C24H30ClN7O4S/c1-31(2)24(36)13-4-6-15(27-20(33)21(34)30-19-7-5-14(25)11-26-19)17(10-13)28-22(35)23-29-16-8-9-32(3)12-18(16)37-23/h5,7,11,13,15,17H,show more
  12. 2-fluoro-6-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
    CAS: 2223043-31-8 PubChem CID: 72220364 Formula: C12H17BFNO3 Molecular Weight: 253.08
    ◐ Made to order · 8–12 wks Item #: F669601
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    Technical Identifiers
    IUPAC Name
    2-fluoro-6-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
    SMILES
    COC1=CC(=CC(F)=N1)B2OC(C)(C)C(C)(C)O2
    InChIKey
    MJEAYURKKSMLIA-UHFFFAOYSA-N
    InChI
    1S/C12H17BFNO3/c1-11(2)12(3,4)18-13(17-11)8-6-9(14)15-10(7-8)16-5/h6-7H,1-5H3
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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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