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).
By Target / Pathway / Disease
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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
24,643Navigate 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
102,640Explore 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)
19,704Find 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.
By Disease (DOID)
8,783Shop 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.
Popular Products
- A-68930 hydrochlorideCAS: 130465-39-3 Formula: C16H17NO3·HCl Molecular Weight: 307.77Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%(HPLC)● In Stock — US Item #: A166895View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (1R,3S)-1-(aminomethyl)-3-phenyl-3,4-dihydro-1H-isochromene-5,6-diol;hydrochloride
- SMILES
- C1C(OC(C2=C1C(=C(C=C2)O)O)CN)C3=CC=CC=C3.Cl
- InChIKey
- PQPGUUQPTSMLKU-YYLIZZNMSA-N
- InChI
- 1S/C16H17NO3.ClH/c17-9-15-11-6-7-13(18)16(19)12(11)8-14(20-15)10-4-2-1-3-5-10;/h1-7,14-15,18-19H,8-9,17H2;1H/t14-,15-;/m0./s1
- Synonyms
- A-68930 hydrochloride | CIS-(+/-)-1-(AMINOMETHYL)-3,4-DIHYDRO-3-PHENYL-1H-2-BENZOPYRAN-5,6-DIOL HYDROCHLORIDE | A 689...
- Cyanine5.5 hydrazideCAS: 2280971-80-2 Formula: C40H46Cl2N4O Molecular Weight: 669.73● In Stock — US Item #: C276412View ProductPricing & Pack Sizes
Technical Identifiers
- Phenprobamate● In Stock — US Item #: P304341View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-phenylpropyl carbamate
- SMILES
- C1=CC=C(C=C1)CCCOC(=O)N
- InChIKey
- CAMYKONBWHRPDD-UHFFFAOYSA-N
- InChI
- 1S/C10H13NO2/c11-10(12)13-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,11,12)
- Synonyms
- Q7181402 | D01824 | Phenprobamat | 3-Phenylpropyl carbamate | Ansepron | HMS2051J03 | Phenprobamatum | 3-Phenyl-1-pro...
- Ibufenac, Cyclooxygenase inhibitorCAS: 1553-60-2 Formula: C12H16O2 Molecular Weight: 192.25● In Stock — US Item #: I167547View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[4-(2-methylpropyl)phenyl]acetic acid
- SMILES
- CC(C)CC1=CC=C(C=C1)CC(=O)O
- InChIKey
- CYWFCPPBTWOZSF-UHFFFAOYSA-N
- InChI
- 1S/C12H16O2/c1-9(2)7-10-3-5-11(6-4-10)8-12(13)14/h3-6,9H,7-8H2,1-2H3,(H,13,14)
- Synonyms
- (p-Isobutylphenyl)acetic acid | (4-isobutylphenyl)acetic acid | 2-(4-isobutylphenyl)acetic acid | Benzeneacetic acid,...
- Isoxsuprine Hydrochloride, Beta-2 adrenergic receptor agonistSolid Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.● In Stock — US Item #: I134069View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]phenol;hydrochloride
- SMILES
- CC(COC1=CC=CC=C1)NC(C)C(C2=CC=C(C=C2)O)O.Cl
- InChIKey
- QVPSGVSNYPRFAS-UHFFFAOYSA-N
- InChI
- 1S/C18H23NO3.ClH/c1-13(12-22-17-6-4-3-5-7-17)19-14(2)18(21)15-8-10-16(20)11-9-15;/h3-11,13-14,18-21H,12H2,1-2H3;1H
- Synonyms
- Benzenemethanol, 4-hydroxy-alpha-(1-((1-methyl-2-phenoxyethyl)amino)ethyl)-, hydrochloride | Benzenemethanol,4-hydrox...
- PSB 0777 ammonium salt◐ .Made to order · 8–12 wks Item #: P287233View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[2-[6-amino-9-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]sulfanylethyl]benzenesulfonic acid;azane
- SMILES
- C1=CC(=CC=C1CCSC2=NC(=C3C(=N2)N(C=N3)C4C(C(C(O4)CO)O)O)N)S(=O)(=O)O.N
- InChIKey
- AYQGFWKUGKSGCZ-VSAOVUCUSA-N
- InChI
- show more
- Synonyms
- 4-[2-[(6-Amino-9-b-D-ribofuranosyl-9H-purin-2-yl)thio]ethyl]benzenesulfonic acid ammonium salt
- Ibuprofen ArginateSolid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. Ibuprofen 52.9~56.85%● In Stock — US Item #: I171055View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-[4-(2-methylpropyl)phenyl]propanoic acid
- SMILES
- CC(C)CC1=CC=C(C=C1)C(C)C(=O)O.C(CC(C(=O)O)N)CN=C(N)N
- InChIKey
- GCCOJNYCFNSJII-VWMHFEHESA-N
- InChI
- show more
- Synonyms
- (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid | (S)-2-Amino-5-guanidinopentanoic acid compound with 2-(4-iso...
- Oxypurinol, Xanthine dehydrogenase inhibitorCAS: 2465-59-0 Formula: C5H4N4O2 Molecular Weight: 152.11● In Stock — US Item #: O168987View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1,7-dihydropyrazolo[3,4-d]pyrimidine-4,6-dione
- SMILES
- C1=NNC2=C1C(=O)NC(=O)N2
- InChIKey
- HXNFUBHNUDHIGC-UHFFFAOYSA-N
- InChI
- 1S/C5H4N4O2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)
- Synonyms
- (1R,2R,4S,5S,7s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl (S)-3-hydroxy-2-phenylpropanoate | Alloxanthin (V...
- Cyanine5.5 maleimide◐ .Made to order · 8–12 wks Item #: C276358View ProductPricing & Pack Sizes
Technical Identifiers
- Cyanine7 amine◐ .Made to order · 8–12 wks Item #: C276362View ProductPricing & Pack Sizes
Technical Identifiers
- Mono(3-carboxypropyl) PhthalateCAS: 66851-46-5 Formula: C12H12O6 Molecular Weight: 252.22Solid ≥97%◐ .Made to order · 8–12 wks Item #: M352875View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(3-carboxypropoxycarbonyl)benzoic acid
- SMILES
- C1=CC=C(C(=C1)C(=O)O)C(=O)OCCCC(=O)O
- InChIKey
- IYTPMLIWBZMBSL-UHFFFAOYSA-N
- InChI
- 1S/C12H12O6/c13-10(14)6-3-7-18-12(17)9-5-2-1-4-8(9)11(15)16/h1-2,4-5H,3,6-7H2,(H,13,14)(H,15,16)
- Synonyms
- MCPP | 1,2-Benzenedicarboxylic Acid Mono(3-carboxypropyl) Ester | Phthalic acid 3-carboxypropyl ester | 1,2-Benzenedi...
- PRT062607 (P505-15, BIIB057) HCl● In Stock — US Item #: P129908View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide;hydrochloride
- SMILES
- C1CCC(C(C1)N)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)N4N=CC=N4)C(=O)N.Cl
- InChIKey
- RMNLLPXCNDZJMJ-IDVLALEDSA-N
- InChI
- show more
- Synonyms
- PRT062607 Hydrochloride | 2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-{[3-(2H-1,2,3-triazol-2-yl)phenyl]amino}pyrimidine-5...
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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.