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
- 1-(4-Fluorophenyl)-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amineCAS: 374922-43-7 Formula: C22H15FN4O2S Molecular Weight: 418.44Liquid 10mM in DMSO● In Stock — US warehouse, ships to EU* Item #: F423690View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-(benzenesulfonyl)-1-(4-fluorophenyl)pyrrolo[3,2-b]quinoxalin-2-amine
- SMILES
- C1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)C5=CC=C(C=C5)F)N
- InChIKey
- CSFVFDHRYKBBPD-UHFFFAOYSA-N
- InChI
- 1S/C22H15FN4O2S/c23-14-10-12-15(13-11-14)27-21(24)20(30(28,29)16-6-2-1-3-7-16)19-22(27)26-18-9-5-4-8-17(18)25-19/h1-13H,24H2
- Synonyms
- SCHEMBL3483653 | ZPA92243 | Oprea1_667095 | SIRT1 Activator II | BDBM50193077 | F1204 | BCP32626 | MFCD02236691 | STL...
- 1-(4-Hydroxyphenyl)-1H-pyrrole-2,5-dione● In Stock — Germany Item #: H304493View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-(4-hydroxyphenyl)pyrrole-2,5-dione
- SMILES
- C1=CC(=CC=C1N2C(=O)C=CC2=O)O
- InChIKey
- BLLFPKZTBLMEFG-UHFFFAOYSA-N
- InChI
- 1S/C10H7NO3/c12-8-3-1-7(2-4-8)11-9(13)5-6-10(11)14/h1-6,12H
- Synonyms
- 7300-91-6|1-(4-Hydroxyphenyl)-1H-pyrrole-2,5-dione|4-maleimidophenol|N-(4-Hydroxyphenyl)maleimide|1-(4-hydroxyphenyl)...
- 1-(2-fluorophenyl)cyclopropane-1-carbonitrileCAS: 97009-38-6 Formula: C10H8FN Molecular Weight: 161.18● In Stock — US warehouse, ships to EU* Item #: F305045View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-(2-fluorophenyl)cyclopropane-1-carbonitrile
- SMILES
- C1CC1(C#N)C2=CC=CC=C2F
- InChIKey
- RAAFWJWXKWFSJX-UHFFFAOYSA-N
- InChI
- 1S/C10H8FN/c11-9-4-2-1-3-8(9)10(7-12)5-6-10/h1-4H,5-6H2
- Synonyms
- 1-(2-Fluorophenyl)cyclopropanecarbonitrile | 1-(2-FLUORO-PHENYL)-CYCLOPROPANECARBONITRILE | A858649 | Z825741228 | DT...
- 1-(3,5-dichlorophenyl)cyclopropan-1-amine hydrochlorideCAS: 1260777-45-4 Formula: C9H10Cl3N Molecular Weight: 238.54◐ .Made to order · 8–12 wks Item #: D302312View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-(3,5-dichlorophenyl)cyclopropan-1-amine
- SMILES
- C1CC1(C2=CC(=CC(=C2)Cl)Cl)N
- InChIKey
- WVCNYXGJGILAFZ-UHFFFAOYSA-N
- InChI
- 1S/C9H9Cl2N/c10-7-3-6(4-8(11)5-7)9(12)1-2-9/h3-5H,1-2,12H2
- 1-(3-fluoro-4-methylphenyl)cyclopropan-1-amine hydrochlorideCAS: 1248210-12-9 Formula: C10H13ClFN Molecular Weight: 201.67◐ .Made to order · 8–12 wks Item #: F302293View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-(3-fluoro-4-methylphenyl)cyclopropan-1-amine
- SMILES
- CC1=C(C=C(C=C1)C2(CC2)N)F
- InChIKey
- BJXRKEGZXHLKHF-UHFFFAOYSA-N
- InChI
- 1S/C10H12FN/c1-7-2-3-8(6-9(7)11)10(12)4-5-10/h2-3,6H,4-5,12H2,1H3
- 1-(5-Iodonaphthalene-1-sulfonyl)-1H-hexahydro-1，4 -diazepine， HydrochlorideCAS: 110448-33-4 Formula: C15H18ClIN2O2S Molecular Weight: 452.74● In Stock — US warehouse, ships to EU* Item #: I132443View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-(5-iodonaphthalen-1-yl)sulfonyl-1,4-diazepane;hydrochloride
- SMILES
- C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CC=C3I.Cl
- InChIKey
- KDDALCDYHZIZMH-UHFFFAOYSA-N
- InChI
- 1S/C15H17IN2O2S.ClH/c16-14-6-1-5-13-12(14)4-2-7-15(13)21(19,20)18-10-3-8-17-9-11-18;/h1-2,4-7,17H,3,8-11H2;1H
- Synonyms
- A802196 | methoxy acetic acid chloride | 1-[(5-iodo-1-naphthalenyl)sulfonyl]-1,4-diazepane hydrochloride | FT-0605793...
- 1-(Trifluoromethyl)vinyl acetate● In Stock — US warehouse, ships to EU* Item #: T303117View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3,3,3-trifluoroprop-1-en-2-yl acetate
- SMILES
- CC(=O)OC(=C)C(F)(F)F
- InChIKey
- VOKGSDIHTCTXDS-UHFFFAOYSA-N
- InChI
- 1S/C5H5F3O2/c1-3(5(6,7)8)10-4(2)9/h1H2,2H3
- Synonyms
- 1-Propen-2-ol, 3,3,3-trifluoro-, 2-acetate | 1-(Trifluoromethyl)ethenyl acetate | 1-Propen-2-ol, 3,3,3-trifluoro-, ac...
- 1-(benzenesulfonyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamideCAS: 1008671-38-2 Formula: C22H23N3O4S2 Molecular Weight: 457.5710mM in DMSO● In Stock — US warehouse, ships to EU* Item #: B420296View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-(benzenesulfonyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
- SMILES
- COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CC=C4
- InChIKey
- UUTYPVHYRISWDI-UHFFFAOYSA-N
- InChI
- show more
- 1-(4-Carboxyphenyl)-1,2,2-triphenyletheneCAS: 197153-87-0 Formula: C27H20O2 Molecular Weight: 376.45Solid ≥97%● In Stock — US warehouse, ships to EU* Item #: C302685View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(1,2,2-triphenylethenyl)benzoic acid
- SMILES
- C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4
- InChIKey
- BYQULXPMSUDNFL-UHFFFAOYSA-N
- InChI
- 1S/C27H20O2/c28-27(29)24-18-16-23(17-19-24)26(22-14-8-3-9-15-22)25(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-19H,(H,28,29)
- Synonyms
- 4-(1,2,2-Triphenylvinyl)benzoic acid
- 2-Acetyl-4-chlorothiopheneCAS: 34730-20-6 Formula: C6H5ClOS Molecular Weight: 160.62● In Stock — US warehouse, ships to EU* Item #: C303501View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-(4-chlorothiophen-2-yl)ethanone
- SMILES
- CC(=O)C1=CC(=CS1)Cl
- InChIKey
- FKESGQASARHBDC-UHFFFAOYSA-N
- InChI
- 1S/C6H5ClOS/c1-4(8)6-2-5(7)3-9-6/h2-3H,1H3
- Synonyms
- Ethanone, 1-(4-chloro-2-thienyl)- | FKESGQASARHBDC-UHFFFAOYSA-N | FT-0650582 | J-019733 | AMY40541 | 4-chloro-2-acety...
- 1-(Pyrazine-2-yl)-4-(pyrimidine-2-yl)piperazine10mM in DMSO● In Stock — US warehouse, ships to EU* Item #: P421419View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine
- SMILES
- C1CN(CCN1C2=NC=CN=C2)C3=NC=CC=N3
- InChIKey
- ZHRRMTBJVSOJRB-UHFFFAOYSA-N
- InChI
- 1S/C12H14N6/c1-2-15-12(16-3-1)18-8-6-17(7-9-18)11-10-13-4-5-14-11/h1-5,10H,6-9H2
- 1-(4-fluorophenyl)-3-(2-hydroxy-5-methoxyphenyl)propane-1,3-dioneCAS: 312607-68-4 Formula: C16H13FO4 Molecular Weight: 288.270423210mM in DMSO● In Stock — US warehouse, ships to EU* Item #: F423218View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-(4-fluorophenyl)-3-(2-hydroxy-5-methoxyphenyl)propane-1,3-dione
- SMILES
- COC1=CC(=C(C=C1)O)C(=O)CC(=O)C2=CC=C(C=C2)F
- InChIKey
- ABKONMXONQQXKA-UHFFFAOYSA-N
- InChI
- 1S/C16H13FO4/c1-21-12-6-7-14(18)13(8-12)16(20)9-15(19)10-2-4-11(17)5-3-10/h2-8,18H,9H2,1H3
- Synonyms
- 1-(4-fluorophenyl)-3-(2-hydroxy-5-methoxyphenyl)propane-1,3-dione
![1-(4-Fluorophenyl)-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine - 10mM in DMSO CAS No(374922-43-7) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/F/4/F423690.png)
![1-(benzenesulfonyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/B/4/B420296.png)
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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.