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
- A1874CAS: 2064292-12-0 Formula: C58H62Cl3F2N9O7S Molecular Weight: 1173.59● In Stock — US warehouse, ships to EU* Item #: A414180View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
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- SMILES
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- InChIKey
- IPNTVOAQOGRLQB-JJMBTQCASA-N
- InChI
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- Synonyms
- (2R,3S,4R,5S)-3-(3-Chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-N-(4-((1-((S)-4-(4-chlorophenyl)-2,3,9-trimethy...
- A2AR antagonist 1CAS: 443103-97-7 Formula: C16H12FN5O Molecular Weight: 309.3● In Stock — US warehouse, ships to EU* Item #: A414068View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-[(2-fluorophenyl)methyl]-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine
- SMILES
- C1=CC=C(C(=C1)CN2C3=NC(=NC(=C3C=N2)C4=CC=CO4)N)F
- InChIKey
- JEEJMSUHUZNTCD-UHFFFAOYSA-N
- InChI
- 1S/C16H12FN5O/c17-12-5-2-1-4-10(12)9-22-15-11(8-19-22)14(20-16(18)21-15)13-6-3-7-23-13/h1-8H,9H2,(H2,18,20,21)
- Synonyms
- A2A receptor antagonist 1 | CPI-444 analog
- A92250010mM in DMSO● In Stock — US warehouse, ships to EU* Item #: A408455View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- DGAT-1 Inhibitor 4a | Cyclopentanecarboxylic acid, 2-[[4'-[[(phenylamino)carbonyl]amino][1,1'-biphenyl]-4-yl]carbonyl...
- AA26-9CAS: 1312782-34-5 Formula: C7H10N4O Molecular Weight: 166.1810mM in DMSO◐ .Made to order · 8–12 wks Item #: A421211View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- pyrrolidin-1-yl(triazol-1-yl)methanone
- SMILES
- C1CCN(C1)C(=O)N2C=CN=N2
- InChIKey
- IFXGAMVQLDJRBQ-UHFFFAOYSA-N
- InChI
- 1S/C7H10N4O/c12-7(10-4-1-2-5-10)11-6-3-8-9-11/h3,6H,1-2,4-5H2
- Synonyms
- Methanone,1-pyrrolidinyl-1H-1,2,3-triazol-1-yl-
- ABT 702 dihydrochloride10mM in DMSO● In Stock — US warehouse, ships to EU* Item #: A420834View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-(3-bromophenyl)-7-(6-morpholin-4-ylpyridin-3-yl)pyrido[2,3-d]pyrimidin-4-amine;dihydrochloride
- SMILES
- C1COCCN1C2=NC=C(C=C2)C3=NC4=NC=NC(=C4C(=C3)C5=CC(=CC=C5)Br)N.Cl.Cl
- InChIKey
- OOXNYFKPOPJIOT-UHFFFAOYSA-N
- InChI
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- Synonyms
- BCP26047 | 5-(3-Bromophenyl)-7-[6-(4-morpholinyl)-3-pyrido[2,3-d]byrimidin-4-amine dihydrochloride | ABT702 | 1188890...
- ABT 702 dihydrochloride● In Stock — US warehouse, ships to EU* Item #: A413554View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-(3-bromophenyl)-7-(6-morpholin-4-ylpyridin-3-yl)pyrido[2,3-d]pyrimidin-4-amine;dihydrochloride
- SMILES
- C1COCCN1C2=NC=C(C=C2)C3=NC4=NC=NC(=C4C(=C3)C5=CC(=CC=C5)Br)N.Cl.Cl
- InChIKey
- OOXNYFKPOPJIOT-UHFFFAOYSA-N
- InChI
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- Synonyms
- BCP26047 | 5-(3-Bromophenyl)-7-[6-(4-morpholinyl)-3-pyrido[2,3-d]byrimidin-4-amine dihydrochloride | ABT702 | 1188890...
- ABT-737, Antagonist of BCL2 apoptosis regulator;Antagonist of Bcl-2-like 1;Antagonist of Bcl-2-like 2CAS: 852808-04-9 Formula: C42H45ClN6O5S2 Molecular Weight: 813.43Moligand™ ? 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 #: A408945View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- Benzamide, 4-[4-[(4'-chloro[1,1'-biphenyl]-2-yl)methyl]-1-piperazinyl]-N-[[4-[[(1R)-3-(dimethylamino)-1-[(phenylthio)...
- ABT-751 (E7010), Tubulin beta inhibitorCAS: 141430-65-1 Formula: C18H17N3O4S Molecular Weight: 371.4110mM in DMSO● In Stock — US warehouse, ships to EU* Item #: A407784View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- N-(2-(4-hydroxyphenylamino)pyridin-3-yl)-4-methoxybenzenesulfonamide
- ACP-105CAS: 899821-23-9 Formula: C16H19ClN2O Molecular Weight: 290.79● In Stock — US warehouse, ships to EU* Item #: A412578View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-chloro-4-[(1R,5S)-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-3-methylbenzonitrile
- SMILES
- CC1=C(C=CC(=C1Cl)C#N)N2C3CCC2CC(C3)(C)O
- InChIKey
- OUEODVPKPRQETQ-OCZCAGDBSA-N
- InChI
- 1S/C16H19ClN2O/c1-10-14(6-3-11(9-18)15(10)17)19-12-4-5-13(19)8-16(2,20)7-12/h3,6,12-13,20H,4-5,7-8H2,1-2H3/t12-,13+,16?
- Synonyms
- Benzonitrile,2-chloro-4-[(3-endo)-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]oct-8-yl]-3-methyl-
- ACY-738, Inhibitor of histone deacetylase 1;Inhibitor of histone deacetylase 2;Inhibitor of histone deacetylase 3;Inhibitor of histone deacetylase 6CAS: 1375465-91-0 Formula: C14H14N4O2 Molecular Weight: 270.29Moligand™ ? 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 #: A421427View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-hydroxy-2-[(1-phenylcyclopropyl)amino]pyrimidine-5-carboxamide
- SMILES
- C1CC1(C2=CC=CC=C2)NC3=NC=C(C=N3)C(=O)NO
- InChIKey
- LIIWIMDSZVNYHY-UHFFFAOYSA-N
- InChI
- 1S/C14H14N4O2/c19-12(18-20)10-8-15-13(16-9-10)17-14(6-7-14)11-4-2-1-3-5-11/h1-5,8-9,20H,6-7H2,(H,18,19)(H,15,16,17)
- Synonyms
- 5-Pyrimidinecarboxamide,N-hydroxy-2-[(1-phenylcyclopropyl)amino]-
- AF-353, Antagonist of P2X3CAS: 865305-30-2 Formula: C14H17IN4O2 Molecular Weight: 400.21Moligand™ ? 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 #: A426439View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
- SMILES
- CC(C)C1=CC(=C(C=C1OC2=CN=C(N=C2N)N)I)OC
- InChIKey
- AATPYXMXFBBKFO-UHFFFAOYSA-N
- InChI
- 1S/C14H17IN4O2/c1-7(2)8-4-11(20-3)9(15)5-10(8)21-12-6-18-14(17)19-13(12)16/h4-7H,1-3H3,(H4,16,17,18,19)
- Synonyms
- 5-[5-Iodo-4-methoxy-2-(propan-2-yl)phenoxy]pyrimidine-2,4-diamine | 2,4-Pyrimidinediamine, 5-[5-iodo-4-methoxy-2-(1-m...
- AFMKSolid 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 #: A336148View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[3-(2-formamido-5-methoxyphenyl)-3-oxopropyl]acetamide
- SMILES
- CC(=O)NCCC(=O)C1=C(C=CC(=C1)OC)NC=O
- InChIKey
- JYWNYMJKURVPFH-UHFFFAOYSA-N
- InChI
- 1S/C13H16N2O4/c1-9(17)14-6-5-13(18)11-7-10(19-2)3-4-12(11)15-8-16/h3-4,7-8H,5-6H2,1-2H3,(H,14,17)(H,15,16)
- Synonyms
- Acetyl-N-formyl-5-methoxykynurenamine | NCGC00165716-01 | FT-0661243 | AKOS030240039 | SCHEMBL63260 | AFMK | N-?-Acet...
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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.