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).
Targets & Pathways
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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 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 to assemble or screen PROTAC designs, with clear identifiers for efficient selection.
By Signaling Pathways
102,620Explore 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)
19,695Find 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
- DAAO inhibitor-1CAS: 2065250-25-9 Formula: C7H5FN2O Molecular Weight: 152.1310mM in DMSO● In Stock — US Item #: D422508View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 6-fluoro-1,2-dihydroindazol-3-one
- SMILES
- C1=CC2=C(C=C1F)NNC2=O
- InChIKey
- KBPHAHZMJXVUPU-UHFFFAOYSA-N
- InChI
- 1S/C7H5FN2O/c8-4-1-2-5-6(3-4)9-10-7(5)11/h1-3H,(H2,9,10,11)
- Synonyms
- MFCD07781605 | SCHEMBL1573990 | BDBM50460191 | DAAO inhibitor-1 | SCHEMBL4426047 | (SO2(OH)2) | 6-Fluoro-3-hydroxy (1...
- DDD107498, Plasmodium falciparum elongation factor 2CAS: 1469439-69-7 Formula: C27H31FN4O2 Molecular Weight: 462.56Moligand™ ? 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 Item #: D421710View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
- SMILES
- C1CCN(C1)CCNC(=O)C2=CC(=NC3=C2C=C(C=C3)F)C4=CC=C(C=C4)CN5CCOCC5
- InChIKey
- BENUHBSJOJMZEE-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- NCGC00490685-01 | DDD498 | E3OC1CU1F4 | 6-Fluoro-2-(4-(4-morpholinylmethyl)phenyl)-N-(2-(1-pyrrolidinyl)ethyl)-4-quin...
- DDR1-IN-1, Inhibitor of discoidin domain receptor tyrosine kinase 1;Inhibitor of discoidin domain receptor tyrosine kinase 2Moligand™ ? 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 Item #: D421663View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[(4-ethylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(2-oxo-1,3-dihydroindol-5-yl)oxy]phenyl]-3-(trifluoromethyl)benzamide
- SMILES
- CCN1CCN(CC1)CC2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)C)OC4=CC5=C(C=C4)NC(=O)C5)C(F)(F)F
- InChIKey
- AOZPVMOOEJAZGK-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- DDR1-IN-1|1449685-96-4|4-[(4-Ethylpiperazin-1-Yl)methyl]-N-{4-Methyl-3-[(2-Oxo-2,3-Dihydro-1h-Indol-5-Yl)oxy]phenyl}-...
- DKM 2-93CAS: 65836-72-8 Formula: C11H14ClNO3 Molecular Weight: 243.69● In Stock — US Item #: D413345View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]acetamide
- SMILES
- COC1=C(C=C(C=C1)CNC(=O)CCl)OC
- InChIKey
- CETPWRGZGWGPSV-UHFFFAOYSA-N
- InChI
- 1S/C11H14ClNO3/c1-15-9-4-3-8(5-10(9)16-2)7-13-11(14)6-12/h3-5H,6-7H2,1-2H3,(H,13,14)
- Synonyms
- DTXSID40216022 | SCHEMBL20456221 | 2-chloro-N-(3,4-dimethoxybenzyl)acetamide | 2-Chloro-N-(3,4-dimethoxy-benzyl)-acet...
- DB07268CAS: 929007-72-7 Formula: C17H15N5O2 Molecular Weight: 321.3310mM in DMSO● In Stock — US Item #: D426966View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[[2-(3-hydroxyanilino)pyrimidin-4-yl]amino]benzamide
- SMILES
- C1=CC=C(C(=C1)C(=O)N)NC2=NC(=NC=C2)NC3=CC(=CC=C3)O
- InChIKey
- QHPKKGUGRGRSGA-UHFFFAOYSA-N
- InChI
- 1S/C17H15N5O2/c18-16(24)13-6-1-2-7-14(13)21-15-8-9-19-17(22-15)20-11-4-3-5-12(23)10-11/h1-10,23H,(H2,18,24)(H2,19,20,21,22)
- Synonyms
- MFCD26960941 | 2-((2-(3-Hydroxyanilino)pyrimidin-4-yl)amino)benzamide | EX-A2356 | NCGC00378943-01 | AS-56032 | 4-ani...
- DCBACAS: 72236-23-8 Formula: C12H15NO3 Molecular Weight: 221.25● In Stock — US Item #: D412675View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-(diethylcarbamoyl)benzoic acid
- SMILES
- CCN(CC)C(=O)C1=CC(=CC=C1)C(=O)O
- InChIKey
- PXXLQQDIFVPNMP-UHFFFAOYSA-N
- InChI
- 1S/C12H15NO3/c1-3-13(4-2)11(14)9-6-5-7-10(8-9)12(15)16/h5-8H,3-4H2,1-2H3,(H,15,16)
- Synonyms
- DEET-Carboxylic Acid | 3-((Diethylamino)carbonyl)benzoic acid | EX-A4070 | HY-136612 | Benzoic acid, 3-((diethylamino...
- DGY-06-116CAS: 2556836-50-9 Formula: C32H33ClN8O2 Molecular Weight: 597.11● In Stock — US Item #: D414439View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[2-(prop-2-enoylamino)anilino]pyrimidine-5-carboxamide
- SMILES
- CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(N=C2NC3=CC=CC=C3NC(=O)C=C)NC4=CC=C(C=C4)N5CCN(CC5)C
- InChIKey
- HLRQYOGLZWIOPA-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- 4-((2-acrylamidophenyl)amino)-N-(2-chloro-6-methylphenyl)-2-((4-(4-methylpiperazin-1-yl)phenyl)amino)pyrimidine-5-car...
- DIM-C-pPhOHCAS: 151358-47-3 Formula: C23H18N2O Molecular Weight: 338.40810mM in DMSO● In Stock — US Item #: D421791View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[bis(1H-indol-3-yl)methyl]phenol
- SMILES
- C1=CC=C2C(=C1)C(=CN2)C(C3=CC=C(C=C3)O)C4=CNC5=CC=CC=C54
- InChIKey
- QCPDFNWJBQMXLI-UHFFFAOYSA-N
- InChI
- 1S/C23H18N2O/c26-16-11-9-15(10-12-16)23(19-13-24-21-7-3-1-5-17(19)21)20-14-25-22-8-4-2-6-18(20)22/h1-14,23-26H
- Synonyms
- 1,1-Bis(3'-indolyl)-1-(p-hydroxyphenyl)methane
- DJ-V-159● In Stock — US Item #: D412167View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-N,3-N-bis[4-cyano-3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
- SMILES
- C1=CC(=CC(=C1)C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)C(=O)NC3=CC(=C(C=C3)C#N)C(F)(F)F
- InChIKey
- VEVNLJLJLVESLL-UHFFFAOYSA-N
- InChI
- 1S/C24H12F6N4O2/c25-23(26,27)19-9-17(6-4-15(19)11-31)33-21(35)13-2-1-3-14(8-13)22(36)34-18-7-5-16(12-32)20(10-18)24(28,29)30/h1-10H,(H,33,35)(H,34,36)
- Synonyms
- N1,N3-Bis(4-cyano-3-(trifluoromethyl)phenyl)isophthalamide, N1,N3-bis[4-cyano-3-(trifluoromethyl)phenyl]-1,3-Benzened...
- DKM 2-93CAS: 65836-72-8 Formula: C11H14ClNO3 Molecular Weight: 243.6910mM in DMSO● In Stock — US Item #: D425322View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]acetamide
- SMILES
- COC1=C(C=C(C=C1)CNC(=O)CCl)OC
- InChIKey
- CETPWRGZGWGPSV-UHFFFAOYSA-N
- InChI
- 1S/C11H14ClNO3/c1-15-9-4-3-8(5-10(9)16-2)7-13-11(14)6-12/h3-5H,6-7H2,1-2H3,(H,13,14)
- Synonyms
- DTXSID40216022 | SCHEMBL20456221 | 2-chloro-N-(3,4-dimethoxybenzyl)acetamide | 2-Chloro-N-(3,4-dimethoxy-benzyl)-acet...
- DCPIBMoligand™ ? 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 Item #: D426141View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-3H-inden-5-yl)oxy]butanoic acid
- SMILES
- CCCCC1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)OCCCC(=O)O)C3CCCC3
- InChIKey
- KHKGTPJPBOQECW-UHFFFAOYSA-N
- InChI
- 1S/C22H28Cl2O4/c1-2-3-10-22(15-7-4-5-8-15)13-14-12-16(28-11-6-9-17(25)26)19(23)20(24)18(14)21(22)27/h12,15H,2-11,13H2,1H3,(H,25,26)
- Synonyms
- AT39417 | HMS3676J03 | NSC-36076 | (-) 4-[(2-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1H-inden-5-yl)oxy]but...
- DHODH-IN-11● In Stock — US Item #: D412523View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2E)-2-cyano-2-hydroxyimino-N-(4-phenylphenyl)acetamide
- SMILES
- C1=CC=C(C=C1)C2=CC=C(C=C2)NC(=O)C(=NO)C#N
- InChIKey
- YFGFEIDPJVPFOM-NBVRZTHBSA-N
- InChI
- 1S/C15H11N3O2/c16-10-14(18-20)15(19)17-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,20H,(H,17,19)/b18-14+
- Synonyms
- EX-A4388 | AKOS040732964 | (E)-2-([1,1'-Biphenyl]-4-ylamino)-N-hydroxy-2-oxoacetimidoylcyanide | (E)-2-([1,1'-Bipheny...
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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.