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).
Targets & Pathways
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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
Ligand families
24,639Navigate 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
2,815PROTAC 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.
By Signaling Pathways
102,615Explore 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.
By Target (DTO)
19,694Find 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.
By Disease (DOID)
8,779Shop 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
- KoumineCAS: 1358-76-5 Formula: C20H22N2O Molecular Weight: 306.4● In Stock — US warehouse, ships to EU* Item #: K418590View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (1R,10R,12S,15S,16R,17S)-15-ethenyl-13-methyl-19-oxa-3,13-diazahexacyclo[14.3.1.02,10.04,9.010,15.012,17]icosa-2,4,6,8-tetraene
- SMILES
- CN1CC2(C3CC4C5=NC6=CC=CC=C6C52CC1C3CO4)C=C
- InChIKey
- VTLYEMHGPMGUOT-FXWNUWCSSA-N
- InChI
- show more
- Synonyms
- (3S,4S,4aR,6R,11bS,11cS)-11c-Ethenyl-1,2,3,4,4a,5,6,11c-octahydro-2-methyl-6,4 | CID 91895267
- KEA1-97CAS: 2138882-71-8 Formula: C15H9Cl2FN4 Molecular Weight: 335.16Liquid 10mM in DMSO◐ .Made to order · 8–12 wks Item #: K580428View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4,6-dichloro-N-[4-(4-fluorophenyl)phenyl]-1,3,5-triazin-2-amine
- SMILES
- C1=CC(=CC=C1C2=CC=C(C=C2)F)NC3=NC(=NC(=N3)Cl)Cl
- InChIKey
- DUROVTLUQOYUPH-UHFFFAOYSA-N
- InChI
- 1S/C15H9Cl2FN4/c16-13-20-14(17)22-15(21-13)19-12-7-3-10(4-8-12)9-1-5-11(18)6-2-9/h1-8H,(H,19,20,21,22)
- Synonyms
- 4,6-Dichloro-N-(4′-fluoro-[1,1′-biphenyl]-4-yl)-1,3,5-triazin-2-amine
- KM91104CAS: 304481-60-5 Formula: C14H12N2O4 Molecular Weight: 272.2610mM in DMSO◐ .Made to order · 8–12 wks Item #: K580429View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3,4-dihydroxy-N-[(2-hydroxyphenyl)methylideneamino]benzamide
- SMILES
- C1=CC=C(C(=C1)C=NNC(=O)C2=CC(=C(C=C2)O)O)O
- InChIKey
- GWVYHPUGEQGQSF-UHFFFAOYSA-N
- InChI
- 1S/C14H12N2O4/c17-11-4-2-1-3-10(11)8-15-16-14(20)9-5-6-12(18)13(19)7-9/h1-8,17-19H,(H,16,20)
- Synonyms
- 3,4-dihydroxy-N'-(2-hydroxybenzylidene)benzohydrazide|304481-60-5|KM91104|3,4-dihydroxy-N-[(2-hydroxyphenyl)methylide...
- Luteolin-7-O-glucuronideCAS: 29741-10-4 Formula: C21H18O12 Molecular Weight: 462.36● In Stock — US warehouse, ships to EU* Item #: L420020View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
- SMILES
- C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O)O
- InChIKey
- VSUOKLTVXQRUSG-ZFORQUDYSA-N
- InChI
- show more
- Synonyms
- R4346D0X7P | Luteolin-7-O-glucuronside | BDBM226184 | luteolin 7-O-beta-D-glucosiduronic acid | UNII-R4346D0X7P | Lut...
- 13(S)-Hydroperoxyoctadeca-9Z,11E-dienoic acid (13-HPODE)CAS: 33964-75-9 Formula: C18H32O4 Molecular Weight: 312.5● In Stock — US warehouse, ships to EU* Item #: H498743View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (9Z,11E,13S)-13-hydroperoxyoctadeca-9,11-dienoic acid
- SMILES
- CCCCCC(C=CC=CCCCCCCCC(=O)O)OO
- InChIKey
- JDSRHVWSAMTSSN-IRQZEAMPSA-N
- InChI
- 1S/C18H32O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,12,15,17,21H,2-6,8,10-11,13-14,16H2,1H3,(H,19,20)/b9-7-,15-12+/t17-/m0/s1
- Synonyms
- 13(S)-Hydroperoxylinoleic acid | Q27098169 | 13S-hydroperoxy-9Z,11e-octadecadienoate | Linoleic acid, 13-hydroperoxy-...
- 3'-hydroxy Puerarin10mM in DMSO● In Stock — US warehouse, ships to EU* Item #: H580592View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-(3,4-dihydroxyphenyl)-7-hydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
- SMILES
- C1=CC(=C(C=C1C2=COC3=C(C2=O)C=CC(=C3C4C(C(C(C(O4)CO)O)O)O)O)O)O
- InChIKey
- GARZMRVWLORUSR-VPRICQMDSA-N
- InChI
- show more
- Huperzine BCAS: 103548-82-9 Formula: C16H20N2O Molecular Weight: 256.3410mM in DMSO● In Stock — US warehouse, ships to EU* Item #: H580415View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (1R,9R,10R)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,16-trien-5-one
- SMILES
- CC1=CC2CC3=C(C=CC(=O)N3)C4(C1)C2CCCN4
- InChIKey
- YYWGABLTRMRUIT-HWWQOWPSSA-N
- InChI
- 1S/C16H20N2O/c1-10-7-11-8-14-13(4-5-15(19)18-14)16(9-10)12(11)3-2-6-17-16/h4-5,7,11-12,17H,2-3,6,8-9H2,1H3,(H,18,19)/t11-,12+,16+/m0/s1
- Synonyms
- 1H-5,10b-Propeno-1,7-phenanthrolin-8(7H)-one, 2,3,4,4a,5,6-hexahydro-12-methyl-, (4aR,5R,10bR)- | HupB | 1H-5,10b-Pro...
- HBX 19818CAS: 1426944-49-1 Formula: C25H28ClN3O Molecular Weight: 422Liquid 10mM in DMSO◐ .Made to order · 8–12 wks Item #: H580411View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[3-[benzyl(methyl)amino]propyl]-9-chloro-5,6,7,8-tetrahydroacridine-2-carboxamide
- SMILES
- CN(CCCNC(=O)C1=CC2=C(C=C1)N=C3CCCCC3=C2Cl)CC4=CC=CC=C4
- InChIKey
- ZCALMLVWZSQGGR-UHFFFAOYSA-N
- InChI
- show more
- HarpagosideCAS: 19210-12-9 EC Number: 242-881-6 PubChem CID: 5281542 Formula: C24H30O11 Molecular Weight: 494.4910mM in DMSO◐ .Made to order · 8–12 wks Item #: H580414View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CC1(CC(C2(C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O)OC(=O)C=CC4=CC=CC=C4
- InChIKey
- KVRQGMOSZKPBNS-FMHLWDFHSA-N
- InChI
- show more
- Synonyms
- EN300-7357122 | BSPBio_001055 | s9171 | AB00513986 | Q-100231 | AC-34268 | BPBio1_001161 | MLS002154086 | A880338 | C...
- 4-Hydroxy IsoleucineCAS: 781658-23-9 Formula: C6H13NO3 Molecular Weight: 147.1710mM in Water● In Stock — US warehouse, ships to EU* Item #: H580281View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2S,3R)-2-amino-4-hydroxy-3-methylpentanoic acid
- SMILES
- CC(C(C)O)C(C(=O)O)N
- InChIKey
- OSCCDBFHNMXNME-DSDZBIDZSA-N
- InChI
- 1S/C6H13NO3/c1-3(4(2)8)5(7)6(9)10/h3-5,8H,7H2,1-2H3,(H,9,10)/t3-,4?,5-/m0/s1
- Synonyms
- 4-?Hydroxy-?L-?isoleucine | 4-HYDROXY-L-ISOLEUCINE | (2S,3R)-2-amino-4-hydroxy-3-methylpentanoic acid | CCG-266183 | ...
- 8-Hydroxyquinoline-5-carboxylic Acid, Inhibitor of egl-9 family hypoxia inducible factor 1;Inhibitor of lysine demethylase 3A;Inhibitor of lysine demethylase 4C;Inhibitor of lysine demethylase 6BCAS: 5852-78-8 Formula: C10H7NO3 Molecular Weight: 189.17Moligand™ ? 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◐ .Made to order · 8–12 wks Item #: H580286View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 8-hydroxyquinoline-5-carboxylic acid
- SMILES
- C1=CC2=C(C=CC(=C2N=C1)O)C(=O)O
- InChIKey
- JGRPKOGHYBAVMW-UHFFFAOYSA-N
- InChI
- 1S/C10H7NO3/c12-8-4-3-7(10(13)14)6-2-1-5-11-9(6)8/h1-5,12H,(H,13,14)
- Synonyms
- IOX1 | SCHEMBL6068195 | AKOS028109012 | Z1255461048 | 5-carboxy-8HQ | AMY6925 | PS-11320 | IOX1 compound | DTXSID2020...
- HOIPIN-1Formula: C17H13NaO4 Molecular Weight: 304.27Liquid 10mM in DMSO◐ .Made to order · 8–12 wks Item #: H580412View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- JTP-0819958 | HOIP inhibitor-1
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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.