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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Ligand families
24,635Navigate 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
2,814PROTAC 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
102,621Explore 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
- Histamine diphosphate monohydrate, Histamine H1 receptor agonist10mM in Water● In Stock — US warehouse, ships to EU* Item #: H424438View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(1H-imidazol-5-yl)ethanamine;phosphoric acid
- SMILES
- C1=C(NC=N1)CCN.OP(=O)(O)O.OP(=O)(O)O
- InChIKey
- ZHIBQGJKHVBLJJ-UHFFFAOYSA-N
- InChI
- 1S/C5H9N3.2H3O4P/c6-2-1-5-3-7-4-8-5;2*1-5(2,3)4/h3-4H,1-2,6H2,(H,7,8);2*(H3,1,2,3,4)
- Synonyms
- Histamine phosphate [USP] | MFCD00064316 | Histamine Phosphate,(S) | Histamine acid phosphate | AC-24100 | DTXSID7058...
- Histamine, Free Base, Activator of carbonic anhydrase 1;Activator of carbonic anhydrase 5A;Activator of carbonic anhydrase 7;Agonist of H 1 receptor;Agonist of H 2 receptor;Agonist of H 3 receptor;Agonist of H 4 receptorMoligand™ ? 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 #: H424422View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(1H-imidazol-5-yl)ethanamine
- SMILES
- C1=C(NC=N1)CCN
- InChIKey
- NTYJJOPFIAHURM-UHFFFAOYSA-N
- InChI
- 1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
- Synonyms
- histamine|51-45-6|2-(1H-imidazol-5-yl)ethanamine|Ergamine|Ergotidine|1H-Imidazole-4-ethanamine|2-(4-Imidazolyl)ethyla...
- Histone Acetyltransferase Inhibitor IICAS: 932749-62-7 Formula: C20H16Br2O3 Molecular Weight: 464.1510mM in DMSO● In Stock — US warehouse, ships to EU* Item #: H426979View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2E,6E)-2,6-bis[(3-bromo-4-hydroxyphenyl)methylidene]cyclohexan-1-one
- SMILES
- C1CC(=CC2=CC(=C(C=C2)O)Br)C(=O)C(=CC3=CC(=C(C=C3)O)Br)C1
- InChIKey
- YOLKEKNTCBWPSD-VOMDNODZSA-N
- InChI
- 1S/C20H16Br2O3/c21-16-10-12(4-6-18(16)23)8-14-2-1-3-15(20(14)25)9-13-5-7-19(24)17(22)11-13/h4-11,23-24H,1-3H2/b14-8+,15-9+
- Synonyms
- 2,6-Bis[(3-bromo-4-hydroxyphenyl)methylene]cyclohexanone；2,6-bis-(3-Bromo-4-hydroxybenzylidene)cyclohexanone；HAT Inhi...
- Histone Acetyltransferase Inhibitor IICAS: 932749-62-7 Formula: C20H16Br2O3 Molecular Weight: 464.15● In Stock — US warehouse, ships to EU* Item #: H276277View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2E,6E)-2,6-bis[(3-bromo-4-hydroxyphenyl)methylidene]cyclohexan-1-one
- SMILES
- C1CC(=CC2=CC(=C(C=C2)O)Br)C(=O)C(=CC3=CC(=C(C=C3)O)Br)C1
- InChIKey
- YOLKEKNTCBWPSD-VOMDNODZSA-N
- InChI
- 1S/C20H16Br2O3/c21-16-10-12(4-6-18(16)23)8-14-2-1-3-15(20(14)25)9-13-5-7-19(24)17(22)11-13/h4-11,23-24H,1-3H2/b14-8+,15-9+
- Synonyms
- 2,6-Bis[(3-bromo-4-hydroxyphenyl)methylene]cyclohexanone | 2,6-bis-(3-Bromo-4-hydroxybenzylidene)cyclohexanone | HAT ...
- Homatropine Bromide10mM in DMSO● In Stock — US warehouse, ships to EU* Item #: H407885View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- Benzeneacetic acid, α-hydroxy-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, hydrobromide (1:1)
- Homatropine Methylbromide10mM in DMSO● In Stock — US warehouse, ships to EU* Item #: H409207View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- 8-Azoniabicyclo[3.2.1]octane, 3-[(2-hydroxy-2-phenylacetyl)oxy]-8,8-dimethyl-, bromide (1:1), (3-endo)-
- HibifolinCAS: 55366-56-8 Formula: C21H18O14 Molecular Weight: 494.4● In Stock — US warehouse, ships to EU* Item #: H412646View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxochromen-8-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
- SMILES
- C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O)O
- InChIKey
- KHVMAMXQPVHXTJ-ORYXKJSJSA-N
- InChI
- show more
- Synonyms
- E87148 | (2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxochromen-8-yl]oxy-3,4,5-trihydroxyoxane-2-c...
- Higenamine hydrochlorideCAS: 11041-94-4 Formula: C16H17NO3.HCl Molecular Weight: 307.7710mM in DMSO● In Stock — US warehouse, ships to EU* Item #: H420598View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrochloride
- SMILES
- C1CNC(C2=CC(=C(C=C21)O)O)CC3=CC=C(C=C3)O.Cl
- InChIKey
- SWWQQSDRUYSMAR-UHFFFAOYSA-N
- InChI
- 1S/C16H17NO3.ClH/c18-12-3-1-10(2-4-12)7-14-13-9-16(20)15(19)8-11(13)5-6-17-14;/h1-4,8-9,14,17-20H,5-7H2;1H
- Synonyms
- 6,7-ISOQUINOLINEDIOL, 1,2,3,4-TETRAHYDRO-1-((4-HYDROXYPHENYL)METHYL)-, HYDROCHLORIDE, (+/-)- | DTXSID10911673 | 6,7-d...
- Higenamine hydrochlorideSolid ≥99%● In Stock — US warehouse, ships to EU* Item #: H413084View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrochloride
- SMILES
- C1CNC(C2=CC(=C(C=C21)O)O)CC3=CC=C(C=C3)O.Cl
- InChIKey
- SWWQQSDRUYSMAR-UHFFFAOYSA-N
- InChI
- 1S/C16H17NO3.ClH/c18-12-3-1-10(2-4-12)7-14-13-9-16(20)15(19)8-11(13)5-6-17-14;/h1-4,8-9,14,17-20H,5-7H2;1H
- Synonyms
- 6,7-ISOQUINOLINEDIOL, 1,2,3,4-TETRAHYDRO-1-((4-HYDROXYPHENYL)METHYL)-, HYDROCHLORIDE, (+/-)- | DTXSID10911673 | 6,7-d...
- HomoplantagininCAS: 17680-84-1 Formula: C22H22O11 Molecular Weight: 462.410mM in DMSO● In Stock — US warehouse, ships to EU* Item #: H422155View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
- SMILES
- COC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC=C(C=C3)O)OC4C(C(C(C(O4)CO)O)O)O
- InChIKey
- GCLAFEGUXXHIFT-IWLDQSELSA-N
- InChI
- show more
- Synonyms
- Dioxomethane | C17762 | Dinatin 7-glucoside | MFCD04039835 | BDBM50046962 | (-)-Homoplantaginin | Ca(2+) | Tectoridin...
- Homovanillic Acid-d3CAS: 74495-71-9 Formula: C9H7D3O4 Molecular Weight: 185.19● In Stock — US warehouse, ships to EU* Item #: H344776View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[4-hydroxy-3-(trideuteriomethoxy)phenyl]acetic acid
- SMILES
- COC1=C(C=CC(=C1)CC(=O)O)O
- InChIKey
- QRMZSPFSDQBLIX-FIBGUPNXSA-N
- InChI
- 1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12)/i1D3
- Synonyms
- AKOS030243315 | 2-[4-hydroxy-3-(trideuteriomethoxy)phenyl]acetic acid | DTXSID70492993 | {4-Hydroxy-3-[(~2~H_3_)methy...
- Homo-PROTAC cereblon degrader 1CAS: 2244520-98-5 Formula: C32H32N6O10 Molecular Weight: 660.63● In Stock — US warehouse, ships to EU* Item #: H412807View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione
- SMILES
- C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCOCCOCCNC4=CC=CC5=C4C(=O)N(C5=O)C6CCC(=O)NC6=O
- InChIKey
- OXIPFLHBDVDLDS-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- OUN209854,4'-(((ethane-1,2-diylbis(oxy))bis(ethane-2,1-diyl))bis(azanediyl))bis(2-(2,6-dioxopiperidin-3-yl)isoindolin...
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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.