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
24,635Navigate 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
- AZD7545, Inhibitor of pyruvate dehydrogenase kinase 1;Inhibitor of pyruvate dehydrogenase kinase 2CAS: 252017-04-2 Formula: C19H18ClF3N2O5S Molecular Weight: 478.87Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO● In Stock — US warehouse, ships to EU* Item #: A422872View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[3-chloro-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]phenyl]sulfonyl-N,N-dimethylbenzamide
- SMILES
- CC(C(=O)NC1=C(C=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(C)C)Cl)(C(F)(F)F)O
- InChIKey
- DTDZLJHKVNTQGZ-GOSISDBHSA-N
- InChI
- 1S/C19H18ClF3N2O5S/c1-18(28,19(21,22)23)17(27)24-15-9-8-13(10-14(15)20)31(29,30)12-6-4-11(5-7-12)16(26)25(2)3/h4-10,28H,1-3H3,(H,24,27)/t18-/m1/s1
- Synonyms
- CCG-269530 | NCGC00250391-07 | AZD-7547 | GTPL9362 | SCHEMBL6350247 | 4-{3-chloro-4-[(2R)-3,3,3-trifluoro-2-hydroxy-2...
- AZD7648, Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit alpha;Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit gamma;Inhibitor of protein kinase; DNA-activated; catalytic subunitMoligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO● In Stock — US warehouse, ships to EU* Item #: A422681View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one
- SMILES
- CC1=CC2=NC=NN2C=C1NC3=NC=C4C(=N3)N(C(=O)N4C)C5CCOCC5
- InChIKey
- XISVSTPEXYIKJL-UHFFFAOYSA-N
- InChI
- 1S/C18H20N8O2/c1-11-7-15-20-10-21-25(15)9-13(11)22-17-19-8-14-16(23-17)26(18(27)24(14)2)12-3-5-28-6-4-12/h7-10,12H,3-6H2,1-2H3,(H,19,22,23)
- Synonyms
- 7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one | SB23233 | A930641 | BCP306...
- Abamectin solutionCAS: 71751-41-2 EC Number: 615-339-5 PubChem CID: 254761708 Formula: C48H72O14 Molecular Weight: 873.1Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. 10μg/ml in methanol● In Stock — US warehouse, ships to EU* Item #: A109743View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- Avermectin B1
- AZD1981, G protein-coupled receptor 44 antagonistCAS: 802904-66-1 Formula: C19H17ClN2O3S Molecular Weight: 388.87Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO● In Stock — US warehouse, ships to EU* Item #: A426070View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[4-acetamido-3-(4-chlorophenyl)sulfanyl-2-methylindol-1-yl]acetic acid
- SMILES
- CC1=C(C2=C(C=CC=C2N1CC(=O)O)NC(=O)C)SC3=CC=C(C=C3)Cl
- InChIKey
- JWYIGNODXSRKGP-UHFFFAOYSA-N
- InChI
- 1S/C19H17ClN2O3S/c1-11-19(26-14-8-6-13(20)7-9-14)18-15(21-12(2)23)4-3-5-16(18)22(11)10-17(24)25/h3-9H,10H2,1-2H3,(H,21,23)(H,24,25)
- Synonyms
- GTPL7680 | A864713 | N-[(1S)-2-(Dimethylamino)-1-phenylethyl]-6,6-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidin-4-yl)am...
- Acamprosate Calcium, GABA-A receptor; anion channel positive modulator10mM in Water● In Stock — US warehouse, ships to EU* Item #: A425904View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- calcium;3-acetamidopropane-1-sulfonate
- SMILES
- CC(=O)NCCCS(=O)(=O)[O-].CC(=O)NCCCS(=O)(=O)[O-].[Ca+2]
- InChIKey
- BUVGWDNTAWHSKI-UHFFFAOYSA-L
- InChI
- 1S/2C5H11NO4S.Ca/c2*1-5(7)6-3-2-4-11(8,9)10;/h2*2-4H2,1H3,(H,6,7)(H,8,9,10);/q;;+2/p-2
- Synonyms
- Acamprosate calcium|77337-73-6|Alcomed|Campral|Sobriol|Campral EC|Aotal|calcium acetylhomotaurinate|Calcium 3-(acetyl...
- Acarbose Hydrate, Maltase-glucoamylase inhibitorCAS: 56180-94-0 EC Number: 260-030-7 Formula: C25H43NO18·xH2O Molecular Weight: 645.61(as Anhydrous)Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO● In Stock — US warehouse, ships to EU* Item #: A424759View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)NC4C=C(C(C(C4O)O)O)CO
- InChIKey
- XUFXOAAUWZOOIT-UGEKTDRHSA-N
- InChI
- show more
- Synonyms
- acarbose|56180-94-0|Glucobay|Precose|Bay g 5421|Prandase|CHEBI:2376|BAY-g 5421|4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-tr...
- Acebutolol HCl, Beta-1 adrenergic receptor antagonistSolid 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 #: A129820View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide;hydrochloride
- SMILES
- CCCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)C)O)C(=O)C.Cl
- InChIKey
- KTUFKADDDORSSI-UHFFFAOYSA-N
- InChI
- 1S/C18H28N2O4.ClH/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3;/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23);1H
- Synonyms
- Sectral | N-(3-Acetyl-4-(2-hydroxy-3-(isopropylamino)propoxy)phenyl)butyramide hydrochloride | M&B 17803A | CHEBI:238...
- Acebutolol HCl, Beta-1 adrenergic receptor antagonist10mM in DMSO● In Stock — US warehouse, ships to EU* Item #: A408001View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- Butanamide, N-[3-acetyl-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]-, hydrochloride (1:1)
- Aceclofenac, Cyclooxygenase-2 inhibitor10mM in DMSO● In Stock — US warehouse, ships to EU* Item #: A426741View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyacetic acid
- SMILES
- C1=CC=C(C(=C1)CC(=O)OCC(=O)O)NC2=C(C=CC=C2Cl)Cl
- InChIKey
- MNIPYSSQXLZQLJ-UHFFFAOYSA-N
- InChI
- 1S/C16H13Cl2NO4/c17-11-5-3-6-12(18)16(11)19-13-7-2-1-4-10(13)8-15(22)23-9-14(20)21/h1-7,19H,8-9H2,(H,20,21)
- Synonyms
- Aceclofenac|89796-99-6|Preservex|Aceclofenaco|Aceclofenacum|Hifenac|Aceclofenac betadex|Aceclofenacum [Latin]|Cincofe...
- Acelarin (NUC-1031)CAS: 840506-29-8 Formula: C25H27F2N4O8P Molecular Weight: 580.4710mM in DMSO● In Stock — US warehouse, ships to EU* Item #: A426183View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- benzyl (2S)-2-[[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
- SMILES
- CC(C(=O)OCC1=CC=CC=C1)NP(=O)(OCC2C(C(C(O2)N3C=CC(=NC3=O)N)(F)F)O)OC4=CC=CC=C4
- InChIKey
- NHTKGYOMICWFQZ-KKQYNPQSSA-N
- InChI
- show more
- Synonyms
- AcelarinNUC1031 | acelarin | (2S)-Benzyl 2-(((((2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-4,4-difluoro-3-hydroxyt...
- Acelarin (NUC-1031)CAS: 840506-29-8 Formula: C25H27F2N4O8P Molecular Weight: 580.47● In Stock — US warehouse, ships to EU* Item #: A414443View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- benzyl (2S)-2-[[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
- SMILES
- CC(C(=O)OCC1=CC=CC=C1)NP(=O)(OCC2C(C(C(O2)N3C=CC(=NC3=O)N)(F)F)O)OC4=CC=CC=C4
- InChIKey
- NHTKGYOMICWFQZ-KKQYNPQSSA-N
- InChI
- show more
- Synonyms
- AcelarinNUC1031 | acelarin | (2S)-Benzyl 2-(((((2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-4,4-difluoro-3-hydroxyt...
- Acephate solutionAnalytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. 10ug/ml in Acetone● In Stock — US warehouse, ships to EU* Item #: A109746View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[methoxy(methylsulfanyl)phosphoryl]acetamide
- SMILES
- CC(=O)NP(=O)(OC)SC
- InChIKey
- YASYVMFAVPKPKE-UHFFFAOYSA-N
- InChI
- 1S/C4H10NO3PS/c1-4(6)5-9(7,8-2)10-3/h1-3H3,(H,5,6,7)
- Synonyms
- Acetamidophos | NCGC00254778-01 | KBio1_001560 | o,S-Dimethyl acetylamidothiophosphate | UNII-3Y417O444D | AKOS006227...
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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.