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
24,642Navigate 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
102,635Explore 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)
19,700Find 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)
8,782Shop 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
- AMI 1CAS: 20324-87-2 Formula: C21H14N2Na2O9S2 Molecular Weight: 548.45● In Stock — US warehouse, ships to EU* Item #: A275769View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- disodium;4-hydroxy-7-[(5-hydroxy-7-sulfonatonaphthalen-2-yl)carbamoylamino]naphthalene-2-sulfonate
- SMILES
- C1=CC2=C(C=C(C=C2C=C1NC(=O)NC3=CC4=CC(=CC(=C4C=C3)O)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+]
- InChIKey
- MOUNHKKCIGVIDI-UHFFFAOYSA-L
- InChI
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- Synonyms
- DTXSID80889678 | Disodium 4-Hydroxy-7-{[(5-hydroxy-7-sulfonatonaphthalen-2-yl)carbamoyl]amino}naphthale yl)carbamoyl]...
- Adenosine 5ʹ-Triphosphate, Disodium Salt (ATP)CAS: 987-65-5 Formula: C10H14N5Na2O13P3 Molecular Weight: 551.15● In Stock — US warehouse, ships to EU* Item #: A100880View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- disodium;[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-oxidophosphoryl] hydrogen phosphate
- SMILES
- C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)([O-])OP(=O)(O)[O-])O)O)N.[Na+].[Na+]
- InChIKey
- TTWYZDPBDWHJOR-IDIVVRGQSA-L
- InChI
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- Synonyms
- EINECS 213-579-1 | Adenosine 5'-Triphosphate, disodium salt | Disodium adenosine triphosphate | DTXSID80891312 | Trip...
- Gemcitabine monophosphate(GemMP)Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥97%● In Stock — US warehouse, ships to EU* Item #: G302257View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
- SMILES
- C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)(F)F
- InChIKey
- KNTREFQOVSMROS-QPPQHZFASA-N
- InChI
- 1S/C9H12F2N3O7P/c10-9(11)6(15)4(3-20-22(17,18)19)21-7(9)14-2-1-5(12)13-8(14)16/h1-2,4,6-7,15H,3H2,(H2,12,13,16)(H2,17,18,19)/t4-,6-,7-/m1/s1
- Synonyms
- 2',2'-difluorodeoxycytidine monophosphate | 5'-Cytidylic acid, 2'-deoxy-2',2'-difluoro- | 2-Deoxy-2,2-difluoro-5-cyti...
- Adrenocorticotropic Hormone Fragment 1-24 human, Melanocortin receptor 2 agonistCAS: 16960-16-0 EC Number: 241-031-1 PubChem CID: 16133802 Formula: C136H210N40O31S Molecular Weight: 2933.44≥97%(HPLC) contains acetic acid 0-13%● In Stock — US warehouse, ships to EU* Item #: A118751View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
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- SMILES
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- InChIKey
- ZOEFCCMDUURGSE-SQKVDDBVSA-N
- InChI
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- Synonyms
- Tetracosactid | CYCLIC NIGEROSYL-(1->6)-NIGEROSE | alpha(1-24)-Corticotropin | Corticotropin (1-24)-Tetracosapeptide ...
- BQ 788 sodium saltCAS: 156161-89-6 Formula: C34H50N5NaO7 Molecular Weight: 663.78Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%● In Stock — US warehouse, ships to EU* Item #: B274848View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
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- SMILES
- [Na+].CCCC[C@@H](NC(=O)[C@@H](Cc1cn(C(=O)OC)c2ccccc12)NC(=O)[C@H](CC(C)(C)C)NC(=O)N3[C@@H](C)CCC[C@H]3C)C([O-])=O
- InChIKey
- QCVIFBRTTLMEOV-FUKQNADPSA-M
- InChI
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- Synonyms
- SCHEMBL7950700 | AKOS024456638 | NCGC00162424-01 | D-Norleucine, N-(((2R,6S)-2,6-dimethyl-1-piperidinyl)carbonyl)-4-m...
- DibromoacetonitrileLiquid Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.◐ .Made to order · 8–12 wks Item #: D303448View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2,2-dibromoacetonitrile
- SMILES
- C(#N)C(Br)Br
- InChIKey
- NDSBDLSWTGLNQA-UHFFFAOYSA-N
- InChI
- 1S/C2HBr2N/c3-2(4)1-5/h2H
- Synonyms
- Acetonitrile, dibromo- | DIBROMOACETONITRILE [IARC] | InChI=1/C2HBr2N/c3-2(4)1-5/h2 | NCGC00259868-01 | AKOS006220481...
- BQCASolid ≥98%(HPLC)● In Stock — US warehouse, ships to EU* Item #: B169694View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxylic acid
- SMILES
- COC1=CC=C(C=C1)CN2C=C(C(=O)C3=CC=CC=C32)C(=O)O
- InChIKey
- BZBBTGCKPRSPGF-UHFFFAOYSA-N
- InChI
- 1S/C18H15NO4/c1-23-13-8-6-12(7-9-13)10-19-11-15(18(21)22)17(20)14-4-2-3-5-16(14)19/h2-9,11H,10H2,1H3,(H,21,22)
- Synonyms
- HY-101858 | 1-(4-methoxybenzyl)-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid | MLS000755157 | HMS2641J10 | 1-(4-Metho...
- BRD-7389● In Stock — US warehouse, ships to EU* Item #: B276067View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 16-(2-phenylethylamino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione
- SMILES
- C1=CC=C(C=C1)CCNC2=C3C4=CC=CC=C4C(=O)C5=C3C(=CC=C5)NC2=O
- InChIKey
- XASCINRGTHLHGM-UHFFFAOYSA-N
- InChI
- 1S/C24H18N2O2/c27-23-17-10-5-4-9-16(17)21-20-18(23)11-6-12-19(20)26-24(28)22(21)25-14-13-15-7-2-1-3-8-15/h1-12,25H,13-14H2,(H,26,28)
- Synonyms
- Oprea1_487649 | 1-Phenethylamino-3H-naphtho[1,2,3-de]quinoline-2,7-dione | AKOS000594176 | IDI1_025137 | CCG-120899 |...
- MyristicinAnalytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.● In Stock — US warehouse, ships to EU* Item #: M136675View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-methoxy-6-prop-2-enyl-1,3-benzodioxole
- SMILES
- COC1=CC(=CC2=C1OCO2)CC=C
- InChIKey
- BNWJOHGLIBDBOB-UHFFFAOYSA-N
- InChI
- 1S/C11H12O3/c1-3-4-8-5-9(12-2)11-10(6-8)13-7-14-11/h3,5-6H,1,4,7H2,2H3
- Synonyms
- CAS-607-91-0 | 4-Methoxy-6-[2-propenyl]-1,3-benzodioxole | HY-N2510 | NCGC00257726-01 | STK693140 | 04PD6CT78W | 1-Me...
- BRL 54443 maleate saltCAS: 1197333-54-2 EC Number: 685-876-8 PubChem CID: 11957480 Formula: C18H22N2O5 Molecular Weight: 346.38◐ .Made to order · 8–12 wks Item #: B166359View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (Z)-but-2-enedioic acid;3-(1-methylpiperidin-4-yl)-1H-indol-5-ol
- SMILES
- CN1CCC(CC1)C2=CNC3=C2C=C(C=C3)O.C(=CC(=O)O)C(=O)O
- InChIKey
- INGCLXPSKXSYND-BTJKTKAUSA-N
- InChI
- 1S/C14H18N2O.C4H4O4/c1-16-6-4-10(5-7-16)13-9-15-14-3-2-11(17)8-12(13)14;5-3(6)1-2-4(7)8/h2-3,8-10,15,17H,4-7H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
- Synonyms
- 1197333-54-2 | DTXSID101017102 | 3-(1-Methylpiperidin-4-yl)-1H-indol-5-ol maleate | EU-0100207 | 1H-Indol-5-ol, 3-(1-...
- INH1◐ .Made to order · 8–12 wks Item #: I287898View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide;hydrochloride
- SMILES
- CC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=CC=C3)C.Cl
- InChIKey
- DYJVVODHGPIUPM-UHFFFAOYSA-N
- InChI
- 1S/C18H16N2OS.ClH/c1-12-8-9-15(13(2)10-12)16-11-22-18(19-16)20-17(21)14-6-4-3-5-7-14;/h3-11H,1-2H3,(H,19,20,21);1H
- Synonyms
- N-(4-(2,4-dimethylphenyl)thiazol-2-yl)benzamide hydrochloride | DTXSID80745407 | J-018393 | N-[4-(2,4-Dimethylphenyl)...
- Tetraamminepalladium(II) dichlorideCAS: 13815-17-3 Formula: Cl2H12N4Pd Molecular Weight: 245.45● In Stock — US warehouse, ships to EU* Item #: T302526View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- Pd(TAC) hydrate
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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.