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
102,634Explore 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)
19,701Find 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
- Benzimidazole-5,6-dicarboxylic acidSolid ≥97%● In Stock — US Item #: H302117View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1H-benzimidazole-5,6-dicarboxylic acid
- SMILES
- C1=C(C(=CC2=C1NC=N2)C(=O)O)C(=O)O
- InChIKey
- PIPQOFRJDBZPFR-UHFFFAOYSA-N
- InChI
- 1S/C9H6N2O4/c12-8(13)4-1-6-7(11-3-10-6)2-5(4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)
- Synonyms
- DTXSID20427518 | 1H-Benzo[d]imidazole-5,6-dicarboxylicacid | AC-17953 | AMY25920 | FT-0622676 | PIPQOFRJDBZPFR-UHFFFA...
- Adrenorphin◐ .Made to order · 8–12 wks Item #: A118753View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CC(C)C(C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCSC)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(CC2=CC=C(C=C2)O)N
- InChIKey
- ZBRXWGQCHSFAHM-MWSMAVIUSA-N
- InChI
- show more
- Synonyms
- 88866-92-6|L-Tyrosylglycylglycyl-L-phenylalanyl-L-methionyl-N~5~-(diaminomethylidene)-L-ornithyl-N~5~-(diaminomethyli...
- AdvantameSolid ≥98%● In Stock — US Item #: A352729View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (3S)-3-[3-(3-hydroxy-4-methoxyphenyl)propylamino]-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid;hydrate
- SMILES
- COC1=C(C=C(C=C1)CCCNC(CC(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)OC)O.O
- InChIKey
- NQQIEOGMDRFTDZ-HLRBRJAUSA-N
- InChI
- show more
- Synonyms
- ADVANTAME [USP-RS] | N-(N-(3-(3-HYDROXY-4-METHOXYPHENYL) PROPYL)-L-.ALPHA.-ASPARTYL)-L-PHENYLALANINE-1-METHYL ESTER, ...
- AjmalineCAS: 4360-12-7 Formula: C20H26N2O2 Molecular Weight: 326.43● In Stock — US Item #: A303721View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (1R,9R,10S,12R,13S,14R,16S,17S,18R)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol
- SMILES
- CCC1C2CC3C4C5(CC(C2C5O)N3C1O)C6=CC=CC=C6N4C
- InChIKey
- CJDRUOGAGYHKKD-RQBLFBSQSA-N
- InChI
- show more
- Synonyms
- Ajmaline [JAN] | Cardiorythmine | AJMALINE [MART.] | Rytmalin | (17R,21-alpha)-Ajmalan-17,21-diol | (17R,21alpha)-Ajm...
- AMMONIUM ALGINATECAS: 9005-34-9 Formula: (C6H7O6NH4)nBioReagent ? BioReagent grade — tested suitable for life-science and molecular-biology use. Use for cell culture, assays, and biochemical work needing biological compatibility.● In Stock — US Item #: A304896View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 6-(2-carboxy-4,5-dihydroxy-6-methoxyoxan-3-yl)oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid
- SMILES
- COC1C(C(C(OC1C(=O)O)OC2C(C(C(OC2C(=O)O)OC)O)O)O)O
- InChIKey
- GKFPPCXIBHQRQT-UHFFFAOYSA-N
- InChI
- 1S/C14H22O13/c1-23-7-3(15)6(18)14(27-9(7)11(19)20)25-8-4(16)5(17)13(24-2)26-10(8)12(21)22/h3-10,13-18H,1-2H3,(H,19,20)(H,21,22)
- Synonyms
- AMMONIUM ALGINATE|9005-34-9|6-(2-carboxy-4,5-dihydroxy-6-methoxyoxan-3-yl)oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxyl...
- APR-246, Cellular tumor antigen p53 stabiliserSolid 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 Item #: A176692View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(hydroxymethyl)-2-(methoxymethyl)-1-azabicyclo[2.2.2]octan-3-one
- SMILES
- COCC1(C(=O)C2CCN1CC2)CO
- InChIKey
- BGBNULCRKBVAKL-UHFFFAOYSA-N
- InChI
- 1S/C10H17NO3/c1-14-7-10(6-12)9(13)8-2-4-11(10)5-3-8/h8,12H,2-7H2,1H3
- Synonyms
- APR 246 | 2-(Hydroxymethyl)-2-(methoxymethyl)-1-azabicyclo[2.2.2]octan-3-one | Eprenetapopt | Z41TGB4080 | 2-(Hydroxy...
- Diclofenac Potassium, Cyclooxygenase inhibitorCAS: 15307-81-0 EC Number: 630-422-6 PubChem CID: 23667642 Formula: C14H10Cl2KNO2 Molecular Weight: 334.24Solid ≥99%● In Stock — US Item #: D129413View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- potassium;2-[2-(2,6-dichloroanilino)phenyl]acetate
- SMILES
- C1=CC=C(C(=C1)CC(=O)[O-])NC2=C(C=CC=C2Cl)Cl.[K+]
- InChIKey
- KXZOIWWTXOCYKR-UHFFFAOYSA-M
- InChI
- 1S/C14H11Cl2NO2.K/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;/h1-7,17H,8H2,(H,18,19);/q;+1/p-1
- Synonyms
- Diclofenac potassium (USP) | Tox21_110258 | Benzeneacetic acid, 2-((2,6-dichlorophenyl)amino)-, monopotassium salt | ...
- (±)-DiclofopSolid 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 #: D349656View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid
- SMILES
- CC(C(=O)O)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)Cl
- InChIKey
- OOLBCHYXZDXLDS-UHFFFAOYSA-N
- InChI
- 1S/C15H12Cl2O4/c1-9(15(18)19)20-11-3-5-12(6-4-11)21-14-7-2-10(16)8-13(14)17/h2-9H,1H3,(H,18,19)
- Synonyms
- 2-[4-(2,4-Dichlorophenoxy)phenoxy]propanoic acid | 2-(4-(2',4'-DICHLOROPHENOXY)PHENOXY)PROPIONIC ACID | 2-(4-(2,4-dic...
- ARRY-380CAS: 937265-83-3 Formula: C29H27N7O4S Molecular Weight: 569.63● In Stock — US Item #: A126334View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
- SMILES
- CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C4=CC=C(O4)CNCCS(=O)(=O)C)OC5=CC6=NC=NN6C=C5
- InChIKey
- QVMNYGOVNWWFKF-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- BCP9000319 | NCGC00346672-01 | 4-quinazolinamine, 6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furanyl]-n-[3-methy...
- Dichloromethylenediphosphonic acid disodium saltSolid ≥98%● In Stock — US Item #: D168759View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- disodium;[dichloro-[hydroxy(oxido)phosphoryl]methyl]-hydroxyphosphinate
- SMILES
- C(P(=O)(O)[O-])(P(=O)(O)[O-])(Cl)Cl.[Na+].[Na+]
- InChIKey
- HJKBJIYDJLVSAO-UHFFFAOYSA-L
- InChI
- 1S/CH4Cl2O6P2.2Na/c2-1(3,10(4,5)6)11(7,8)9;;/h(H2,4,5,6)(H2,7,8,9);;/q;2*+1/p-2
- Synonyms
- Cl2MDP | DTXCID40159526 | Clodronic acid disodium salt | CHEBI:59586 | Cl2MDP; Clodronic acid disodium magnesium salt...
- ARRY-520, Kinesin-like protein 1 inhibitorCAS: 885060-09-3 Formula: C20H22F2N4O2S Molecular Weight: 420.48Solid ≥98%● In Stock — US Item #: A126249View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2S)-2-(3-aminopropyl)-5-(2,5-difluorophenyl)-N-methoxy-N-methyl-2-phenyl-1,3,4-thiadiazole-3-carboxamide
- SMILES
- CN(C(=O)N1C(SC(=N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC
- InChIKey
- LLXISKGBWFTGEI-FQEVSTJZSA-N
- InChI
- 1S/C20H22F2N4O2S/c1-25(28-2)19(27)26-20(11-6-12-23,14-7-4-3-5-8-14)29-18(24-26)16-13-15(21)9-10-17(16)22/h3-5,7-10,13H,6,11-12,23H2,1-2H3/t20-/m0/s1
- Synonyms
- EX-A678 | (S)-2-(3-aminopropyl)-5-(2,5-difluorophenyl)-N-methoxy-N-methyl-2-phenyl-1,3,4-thiadiazole-3(2H)-carboxamid...
- AS 101● In Stock — US Item #: A286696View ProductPricing & Pack Sizes
Technical Identifiers
- SMILES
- [Cl-][Te+4]1([Cl-])([O-]CC[O-]1)[Cl-].[NH4+]
- InChIKey
- AXWLPMGUUAIGJK-UHFFFAOYSA-O
- Synonyms
- Ammonium trichloro[1,2-ethanediolato-O,O']-tellurate
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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.