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
Ligand families
24,653Navigate 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
102,665Explore 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)
19,717Find 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)
8,793Shop 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
- PJ34 HClCAS: 344458-15-7 Formula: C17H17N3O2·HCl Molecular Weight: 331.8● In Stock — US warehouse, ships to EU* Item #: P129886View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(dimethylamino)-N-(6-oxo-5H-phenanthridin-2-yl)acetamide;hydrochloride
- SMILES
- CN(C)CC(=O)NC1=CC2=C(C=C1)NC(=O)C3=CC=CC=C32.Cl
- InChIKey
- RURAZZMDMNRXMI-UHFFFAOYSA-N
- InChI
- 1S/C17H17N3O2.ClH/c1-20(2)10-16(21)18-11-7-8-15-14(9-11)12-5-3-4-6-13(12)17(22)19-15;/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22);1H
- Synonyms
- A874967 | AS-72775 | HY-13688 | n-(6-oxo-5,6-dihydro-phenanthridin-2-yl)-n,n-dimethylacetamide hydrochloride | AKOS00...
- HypoxanthineSolid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99%● In Stock — US warehouse, ships to EU* Item #: H108384View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1,7-dihydropurin-6-one
- SMILES
- C1=NC2=C(N1)C(=O)NC=N2
- InChIKey
- FDGQSTZJBFJUBT-UHFFFAOYSA-N
- InChI
- 1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
- Synonyms
- 3h-hypoxanthine | 6-Hydroxy-1H-purine | CAS-68-94-0 | Purin-6(1H)-one | 7H-Purin-6-ol | GTPL4555 | PDSP2_000297 | Spe...
- I-BET 151 dihydrochloride● In Stock — US warehouse, ships to EU* Item #: I287715View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]-3H-imidazo[4,5-c]quinolin-2-one;dihydrochloride
- SMILES
- CC1=C(C(=NO1)C)C2=C(C=C3C(=C2)N=CC4=C3N(C(=O)N4)C(C)C5=CC=CC=N5)OC.Cl.Cl
- InChIKey
- UFLKDZBLUNJNJS-FFXKMJQXSA-N
- InChI
- show more
- Synonyms
- I-BET151 dihydrochloride | GSK1210151A dihydrochloride | 7-(3,5-Dimethyl-4-isoxazolyl)-1,3-dihydroxy-8-methoxy-1-[(1R...
- Boc-alpha-methyl-DL-Val-OHCAS: 139938-00-4 Formula: C11H21NO4 Molecular Weight: 231.3● In Stock — US warehouse, ships to EU* Item #: B356468View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
- SMILES
- CC(C)C(C)(C(=O)O)NC(=O)OC(C)(C)C
- InChIKey
- MXPBQQXWXZWBMK-UHFFFAOYSA-N
- InChI
- 1S/C11H21NO4/c1-7(2)11(6,8(13)14)12-9(15)16-10(3,4)5/h7H,1-6H3,(H,12,15)(H,13,14)
- Synonyms
- Boc-alpha-methyl-DL-Val-OH | 2-{[(tert-butoxy)carbonyl]amino}-2,3-dimethylbutanoic acid | EN300-842305 | Z1200998487 ...
- Hydroxytacrine maleateSolid 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 #: A132455View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 9-amino-1,2,3,4-tetrahydroacridin-1-ol;(Z)-but-2-enedioic acid
- SMILES
- C1CC(C2=C(C3=CC=CC=C3N=C2C1)N)O.C(=CC(=O)O)C(=O)O
- InChIKey
- NEEKVKZFYBQFGT-BTJKTKAUSA-N
- InChI
- 1S/C13H14N2O.C4H4O4/c14-13-8-4-1-2-5-9(8)15-10-6-3-7-11(16)12(10)13;5-3(6)1-2-4(7)8/h1-2,4-5,11,16H,3,6-7H2,(H2,14,15);1-2H,(H,5,6)(H,7,8)/b;2-1-
- Synonyms
- P83 6029A | Caswell No. 207E | Mentane | SR-01000075908-1 | Velnacrine maleate (USAN) | BRN 2136026 | H 3146 | VELNAC...
- R(+)-IAA-94CAS: 54197-31-8 Formula: C17H18Cl2O4 Molecular Weight: 357.23◐ .Made to order · 8–12 wks Item #: I345659View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[[(2S)-6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl]oxy]acetic acid
- SMILES
- CC1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)OCC(=O)O)C3CCCC3
- InChIKey
- RNOJGTHBMJBOSP-KRWDZBQOSA-N
- InChI
- 1S/C17H18Cl2O4/c1-17(10-4-2-3-5-10)7-9-6-11(23-8-12(20)21)14(18)15(19)13(9)16(17)22/h6,10H,2-5,7-8H2,1H3,(H,20,21)/t17-/m0/s1
- Synonyms
- R(+)-Methylindazone | (S)-2-((6,7-Dichloro-2-cyclopentyl-2-methyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy)aceticacid | CH...
- Hydroxyzine dihydrochloride, Histamine H1 receptor antagonistCAS: 2192-20-3 EC Number: 218-586-3 PubChem CID: 91513 Formula: C21H27ClN2O2 · 2HCl Molecular Weight: 447.83Solid ≥98%● In Stock — US warehouse, ships to EU* Item #: H168667View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethanol;dihydrochloride
- SMILES
- C1CN(CCN1CCOCCO)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.Cl.Cl
- InChIKey
- ANOMHKZSQFYSBR-UHFFFAOYSA-N
- InChI
- 1S/C21H27ClN2O2.2ClH/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25;;/h1-9,21,25H,10-17H2;2*1H
- Synonyms
- 1-ethyl-3-methylimidazol-3-ium;trifluoromethanesulfonate | 2192-20-3 (2HCl) | Ethanol, 2-(2-(4-(p-chloro-alpha-phenyl...
- Potassium 2-bromo-2,2-difluoroacetateSolid ≥97%● In Stock — US warehouse, ships to EU* Item #: P304807View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- potassium;2-bromo-2,2-difluoroacetate
- SMILES
- C(=O)(C(F)(F)Br)[O-].[K+]
- InChIKey
- IDXMRTSGPHLLSP-UHFFFAOYSA-M
- InChI
- 1S/C2HBrF2O2.K/c3-2(4,5)1(6)7;/h(H,6,7);/q;+1/p-1
- Synonyms
- AS-63109 | F17436 | potassium,2-bromo-2,2-difluoroacetate | MFCD07784243 | A916688 | SCHEMBL4855093 | AKOS016016158 |...
- BropirimineSolid ≥98%(HPLC)● In Stock — US warehouse, ships to EU* Item #: B134495View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-amino-5-bromo-4-phenyl-1H-pyrimidin-6-one
- SMILES
- C1=CC=C(C=C1)C2=C(C(=O)NC(=N2)N)Br
- InChIKey
- CIUUIPMOFZIWIZ-UHFFFAOYSA-N
- InChI
- 1S/C10H8BrN3O/c11-7-8(6-4-2-1-3-5-6)13-10(12)14-9(7)15/h1-5H,(H3,12,13,14,15)
- Synonyms
- 4(3H)-Pyrimidinone, 2-amino-5-bromo-6-phenyl- | Bropirimine | BROPIRIMINE [JAN] | SCHEMBL4058 | AB00081669-01 | CHEBI...
- IBTP ((4-Iodobutyl)triphenylphosphonium)◐ .Made to order · 8–12 wks Item #: I275695View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-iodobutyl(triphenyl)phosphanium;iodide
- SMILES
- C1=CC=C(C=C1)[P+](CCCCI)(C2=CC=CC=C2)C3=CC=CC=C3.[I-]
- InChIKey
- XWDMWKLGLADJFM-UHFFFAOYSA-M
- InChI
- 1S/C22H23IP.HI/c23-18-10-11-19-24(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22;/h1-9,12-17H,10-11,18-19H2;1H/q+1;/p-1
- Synonyms
- DTXSID40587901 | (4-IODOBUTYL)TRIPHENYLPHOSPHANIUM IODIDE | AKOS040755935 | Phosphonium, (4-iodobutyl)triphenyl-, iod...
- 6-HydroxydopaCAS: 23358-64-7 Formula: C9H11NO5 Molecular Weight: 213.19● In Stock — US warehouse, ships to EU* Item #: H354939View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-amino-3-(2,4,5-trihydroxyphenyl)propanoic acid
- SMILES
- C1=C(C(=CC(=C1O)O)O)CC(C(=O)O)N
- InChIKey
- YLKRUSPZOTYMAT-UHFFFAOYSA-N
- InChI
- 1S/C9H11NO5/c10-5(9(14)15)1-4-2-7(12)8(13)3-6(4)11/h2-3,5,11-13H,1,10H2,(H,14,15)
- Synonyms
- 6-Hydroxy-D,L-DOPA | MLS002153447 | SCHEMBL503251 | DL-6-Hydroxydopa | 3-(2,4,5-trihydroxyphenyl)-dl-alanine | 6-hydr...
- Boc-MLFCAS: 67247-12-5 Formula: C25H39N3O6S Molecular Weight: 509.66● In Stock — US warehouse, ships to EU* Item #: B287083View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2S)-2-[[(2S)-4-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]amino]pentanoyl]amino]-3-phenylpropanoic acid
- SMILES
- CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(CCSC)NC(=O)OC(C)(C)C
- InChIKey
- GYBXWOPENJVQKE-UFYCRDLUSA-N
- InChI
- show more
- Synonyms
- MFCD00037435 | (6S,9S,12S)-12-Benzyl-9-isobutyl-2,2-dimethyl-6-(2-(methylthio)ethyl)-4,7,10-trioxo-3-oxa-5,8,11-triaz...
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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.