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 (where available)—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. DL-AP5 sodium salt
    CAS: 1303993-72-7 Formula: C5H11NNaO5P Molecular Weight: 219.11
    ● In Stock — US warehouse, ships to EU* Item #: D276202
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    IUPAC Name
    sodium;(4-amino-4-carboxybutyl)-hydroxyphosphinate
    SMILES
    C(CC(C(=O)O)N)CP(=O)(O)[O-].[Na+]
    InChIKey
    KWRCYAPNGUCHOE-UHFFFAOYSA-M
    InChI
    1S/C5H12NO5P.Na/c6-4(5(7)8)2-1-3-12(9,10)11;/h4H,1-3,6H2,(H,7,8)(H2,9,10,11);/q;+1/p-1
    Synonyms
    Sodium (4-amino-4-carboxybutyl)-hydroxyphosphinate | DL-2-Amino-5-phosphonopentanoic acid sodium salt
  2. DCC-2618
    CAS: 1225278-16-9 Formula: C26H21F2N5O3 Molecular Weight: 489.47
    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 #: D126474
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    IUPAC Name
    1-N'-[2,5-difluoro-4-[2-(1-methylpyrazol-4-yl)pyridin-4-yl]oxyphenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide
    SMILES
    CN1C=C(C=N1)C2=NC=CC(=C2)OC3=C(C=C(C(=C3)F)NC(=O)C4(CC4)C(=O)NC5=CC=CC=C5)F
    InChIKey
    WWOXKWLDMLMYQY-UHFFFAOYSA-N
    InChI
    1S/C26H21F2N5O3/c1-33-15-16(14-30-33)21-11-18(7-10-29-21)36-23-13-19(27)22(12-20(23)28)32-25(35)26(8-9-26)24(34)31-17-5-3-2-4-6-17/h2-7,10-15H,8-9H2,1show more
    Synonyms
    N-(2,5-Difluoro-4-(2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yloxy)phenyl)-N′-phenylcyclopropane-1,1-dicarboxamide, DCC 2...
  3. DD1
    CAS: 187585-11-1 EC Number: 809-166-6 Formula: C16H14N2O3 Molecular Weight: 282.3
    ● In Stock — US warehouse, ships to EU* Item #: D332334
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    IUPAC Name
    3-amino-2-(3-amino-4-methoxyphenyl)chromen-4-one
    SMILES
    COC1=C(C=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)N)N
    InChIKey
    HSRUZXHIEFFBHR-UHFFFAOYSA-N
    InChI
    1S/C16H14N2O3/c1-20-13-7-6-9(8-11(13)17)16-14(18)15(19)10-4-2-3-5-12(10)21-16/h2-8H,17-18H2,1H3
    Synonyms
    DTXSID50172069 | HUN85111 | SCHEMBL15819532 | CCRIS 8248 | 3-Amino-2-(3-amino-4-methoxyphenyl)-4H-1-benzopyran-4-one ...
  4. DDMS
    CAS: 206052-03-1 Formula: C13H23Br2NO3S Molecular Weight: 433.2
    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 #: D344397
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    IUPAC Name
    12,12-dibromo-N-methylsulfonyldodec-11-enamide
    SMILES
    CS(=O)(=O)NC(=O)CCCCCCCCCC=C(Br)Br
    InChIKey
    BDCZFOHEQGRTBW-UHFFFAOYSA-N
    InChI
    1S/C13H23Br2NO3S/c1-20(18,19)16-13(17)11-9-7-5-3-2-4-6-8-10-12(14)15/h10H,2-9,11H2,1H3,(H,16,17)
    Synonyms
    SR-01000946187-1 | 11-Dodecenamide, 12,12-dibromo-N-(methylsulfonyl)- | 12,12-Dibromo-N-(methylsulfonyl)-11-dodecenam...
  5. Anamorelin
    CAS: 249921-19-5 Formula: C31H42N6O3 Molecular Weight: 546.7
    ● In Stock — US warehouse, ships to EU* Item #: A125440
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    IUPAC Name
    2-amino-N-[(2R)-1-[(3R)-3-benzyl-3-[dimethylamino(methyl)carbamoyl]piperidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
    SMILES
    CC(C)(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N3CCCC(C3)(CC4=CC=CC=C4)C(=O)N(C)N(C)C)N
    InChIKey
    VQPFSIRUEPQQPP-MXBOTTGLSA-N
    InChI
    1S/C31H42N6O3/c1-30(2,32)28(39)34-26(18-23-20-33-25-15-10-9-14-24(23)25)27(38)37-17-11-16-31(21-37,29(40)36(5)35(3)4)19-22-12-7-6-8-13-22/h6-10,12-15,show more
    Synonyms
    RC-1291 | CCG-269985 | UNII-6MUC9717YK | HY-14734 | RC-1291;ONO-7643 | ST-1291 | UNII-DD5RBA1NKF | Q20707542 | RC-129...
  6. Philanthotoxin-7,4 (PhTx-74)
    CAS: 401601-12-5 PubChem CID: 46213501 Formula: C24H42N4O3.2HCl Molecular Weight: 507.54
    ◐ .Made to order · 8–12 wks Item #: P275058
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    IUPAC Name
    N-[(2S)-1-[7-(4-aminobutylamino)heptylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanamide;dihydrochloride
    SMILES
    CCCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NCCCCCCCNCCCCN.Cl.Cl
    InChIKey
    HWTJQQMIKVJWLH-IKXQUJFKSA-N
    InChI
    1S/C24H42N4O3.2ClH/c1-2-10-23(30)28-22(19-20-11-13-21(29)14-12-20)24(31)27-18-8-5-3-4-7-16-26-17-9-6-15-25;;/h11-14,22,26,29H,2-10,15-19,25H2,1H3,(H,2show more
    Synonyms
    Philanthotoxin 74 | Benzenepropanamide, N-[7-[(4-aminobutyl)amino]heptyl]-4-hydroxy-alpha-[(1-oxobutyl)amino]-, hydro...
  7. Dimethoxycurcumin
    CAS: 160096-59-3 Formula: C23H24O6 Molecular Weight: 396.44
    ◐ .Made to order · 8–12 wks Item #: D275661
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    IUPAC Name
    (1E,6E)-1,7-bis(3,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
    SMILES
    COC1=C(C=C(C=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)OC)OC)OC
    InChIKey
    HMJSBVCDPKODEX-NXZHAISVSA-N
    InChI
    1S/C23H24O6/c1-26-20-11-7-16(13-22(20)28-3)5-9-18(24)15-19(25)10-6-17-8-12-21(27-2)23(14-17)29-4/h5-14H,15H2,1-4H3/b9-5+,10-6+
    Synonyms
    EX-A4222 | Dimethoxycurcumin(DiMC) | HMJSBVCDPKODEX-NXZHAISVSA-N | SR-01000946328 | HY-100977 | J-009673 | 1,7-Bis-(3...
  8. Pigment Red 122
    CAS: 980-26-7 PubChem CID: 70423 Formula: C22H16N2O2 Molecular Weight: 340.4
    Technical grade ? Technical grade — industrial-quality purity with no tight impurity guarantees. Use for large-scale or non-critical processes where cost matters most.
    ● In Stock — Germany Item #: P341832
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    IUPAC Name
    2,9-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
    SMILES
    CC1=CC2=C(C=C1)NC3=CC4=C(C=C3C2=O)NC5=C(C4=O)C=C(C=C5)C
    InChIKey
    TXWSZJSDZKWQAU-UHFFFAOYSA-N
    InChI
    1S/C22H16N2O2/c1-11-3-5-17-13(7-11)21(25)15-9-20-16(10-19(15)23-17)22(26)14-8-12(2)4-6-18(14)24-20/h3-10H,1-2H3,(H,23,25)(H,24,26)
    Synonyms
    Fastogen Super Magneta RS | N-(6-oxo-3,7-dihydropurin-2-yl)acetamide | 5,12-dihydro-2,9-dimethylquino[2,3-b]acridine-...
  9. 6-phenylpyridazin-3-amine
    CAS: 14966-91-7 PubChem CID: 11958915 Formula: C10H9N3 Molecular Weight: 171.2
    ◐ .Made to order · 8–12 wks Item #: P349912
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    IUPAC Name
    6-phenylpyridazin-3-amine
    SMILES
    C1=CC=C(C=C1)C2=NN=C(C=C2)N
    InChIKey
    YTDZFWNQRRMELI-UHFFFAOYSA-N
    InChI
    1S/C10H9N3/c11-10-7-6-9(12-13-10)8-4-2-1-3-5-8/h1-7H,(H2,11,13)
    Synonyms
    6-Phenyl-pyridazin-3-ylamine | 3-Amino-6-phenylpyridazine | EN300-88808 | J-518990 | YTDZFWNQRRMELI-UHFFFAOYSA-N | 3-...
  10. Lucanthone Hydrochloride
    CAS: 548-57-2 EC Number: 208-951-5 Formula: C20H24N2OS•HCl Molecular Weight: 340.483646
    ◐ .Made to order · 8–12 wks Item #: L340464
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    IUPAC Name
    1-[2-(diethylamino)ethylamino]-4-methylthioxanthen-9-one;hydrochloride
    SMILES
    CCN(CC)CCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O.Cl
    InChIKey
    LAOOXBLMIJHMFO-UHFFFAOYSA-N
    InChI
    1S/C20H24N2OS.ClH/c1-4-22(5-2)13-12-21-16-11-10-14(3)20-18(16)19(23)15-8-6-7-9-17(15)24-20;/h6-11,21H,4-5,12-13H2,1-3H3;1H
    Synonyms
    1-(.beta.-Diethylaminoethylamino)-4-methyl-thiaxanthone hydrochloride | AKOS040758605 | Lucanthone hydrochloride 100 ...
  11. ProcyanidinB2
    CAS: 29106-49-8 PubChem CID: 122738 Formula: C30H26O12 Molecular Weight: 578.52
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥90%
    ● In Stock — US warehouse, ships to EU* Item #: P136147
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    IUPAC Name
    (2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-trioshow more
    SMILES
    C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O
    InChIKey
    XFZJEEAOWLFHDH-NFJBMHMQSA-N
    InChI
    1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/hshow more
    Synonyms
    BDBM50553253 | P17914 | AKOS008901339 | Proanthocyanidin B2 | PROCYANIDIN B2, (+)- | (2R,2'R,3R,3'R,4R)-2,2'-bis(3,4-...
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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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