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).
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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
- AKR1C1-IN-1CAS: 4906-68-7 Formula: C13H9BrO3 Molecular Weight: 293.12● In Stock — US warehouse, ships to EU* Item #: A412533View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-bromo-2-hydroxy-5-phenylbenzoic acid
- SMILES
- C1=CC=C(C=C1)C2=CC(=C(C(=C2)Br)O)C(=O)O
- InChIKey
- XVZSXNULHSIRCQ-UHFFFAOYSA-N
- InChI
- 1S/C13H9BrO3/c14-11-7-9(8-4-2-1-3-5-8)6-10(12(11)15)13(16)17/h1-7,15H,(H,16,17)
- Synonyms
- HY-114009 | 3-Bromo-5-phenylsalicylc acid | E76500 | S0764 | 3-Bromo-5-phenyl salicylic acid | AKOS005151372 | 3-brom...
- AH-7614CAS: 6326-06-3 Formula: C20H17NO3S Molecular Weight: 351.4210mM in DMSO● In Stock — US warehouse, ships to EU* Item #: A425207View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-methyl-N-(9H-xanthen-9-yl)benzenesulfonamide
- SMILES
- CC1=CC=C(C=C1)S(=O)(=O)NC2C3=CC=CC=C3OC4=CC=CC=C24
- InChIKey
- OZCQEUZTOAAWDK-UHFFFAOYSA-N
- InChI
- 1S/C20H17NO3S/c1-14-10-12-15(13-11-14)25(22,23)21-20-16-6-2-4-8-18(16)24-19-9-5-3-7-17(19)20/h2-13,20-21H,1H3
- Synonyms
- DTXSID40979307 | Oprea1_006107 | OZCQEUZTOAAWDK-UHFFFAOYSA-N | AH-7614, >=98% (HPLC) | TG(11:0/11:0/11:0) | t-butoxyc...
- AI-10-4910mM in DMSO● In Stock — US warehouse, ships to EU* Item #: A421073View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 6-(trifluoromethoxy)-2-[5-[2-[2-[6-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyridin-3-yl]oxyethoxy]ethoxy]pyridin-2-yl]-1H-benzimidazole
- SMILES
- C1=CC2=C(C=C1OC(F)(F)F)NC(=N2)C3=NC=C(C=C3)OCCOCCOC4=CN=C(C=C4)C5=NC6=C(N5)C=C(C=C6)OC(F)(F)F
- InChIKey
- WJBSSBFGPKTMQQ-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- AI-10-49|1256094-72-0|2,2'-(5,5'-((oxybis(ethane-2,1-diyl))bis(oxy))bis(pyridine-5,2-diyl))bis(6-(trifluoromethoxy)-1...
- AIM-100CAS: 873305-35-2 Formula: C23H21N3O2 Molecular Weight: 371.4310mM in DMSO● In Stock — US warehouse, ships to EU* Item #: A426601View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[[(2S)-oxolan-2-yl]methyl]-5,6-diphenylfuro[2,3-d]pyrimidin-4-amine
- SMILES
- C1CC(OC1)CNC2=C3C(=C(OC3=NC=N2)C4=CC=CC=C4)C5=CC=CC=C5
- InChIKey
- XNFHHOXCDUAYSR-SFHVURJKSA-N
- InChI
- show more
- Synonyms
- 5,6-Diphenyl-N-[[(2S)-tetrahydro-2-furanyl]methyl]furo[2,3-d]pyrimidin-4-amine | YJB30535 | MLS006010340 | N-[[(2S)-o...
- AK-1CAS: 330461-64-8 Formula: C19H21N3O5S Molecular Weight: 403.45● In Stock — US warehouse, ships to EU* Item #: A275073View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-(azepan-1-ylsulfonyl)-N-(3-nitrophenyl)benzamide
- SMILES
- C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]
- InChIKey
- HAYBKCHPEBZNGW-UHFFFAOYSA-N
- InChI
- 1S/C19H21N3O5S/c23-19(20-16-8-6-9-17(14-16)22(24)25)15-7-5-10-18(13-15)28(26,27)21-11-3-1-2-4-12-21/h5-10,13-14H,1-4,11-12H2,(H,20,23)
- Synonyms
- 3-[(Hexahydro-1H-azepin-1-yl)sulfonyl]-N-(3-nitrophenyl)benzamide | 3-[(Hexahydro-1H-azepin-1-yl)sulfonyl]-N-(3-nitro...
- AK-7CAS: 420831-40-9 Formula: C19H21BrN2O3S Molecular Weight: 437.3510mM in DMSO● In Stock — US warehouse, ships to EU* Item #: A423904View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-(azepan-1-ylsulfonyl)-N-(3-bromophenyl)benzamide
- SMILES
- C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC(=CC=C3)Br
- InChIKey
- IYAYHZZWYNXHEQ-UHFFFAOYSA-N
- InChI
- 1S/C19H21BrN2O3S/c20-16-8-6-9-17(14-16)21-19(23)15-7-5-10-18(13-15)26(24,25)22-11-3-1-2-4-12-22/h5-10,13-14H,1-4,11-12H2,(H,21,23)
- Synonyms
- BS-16806 | C19H21BrN2O3S | HMS3886F07 | MLS006011706 | Q27255930 | AK 7 | EU-0004902 | DTXSID30194926 | SCHEMBL109572...
- AKOS B018304CAS: 6308-22-1 Formula: C10H6N2O3S2 Molecular Weight: 266.3● In Stock — US warehouse, ships to EU* Item #: A413640View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (5E)-5-[(2-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
- SMILES
- C1=CC=C(C(=C1)C=C2C(=O)NC(=S)S2)[N+](=O)[O-]
- InChIKey
- CTTRUEBEEFZQBL-VMPITWQZSA-N
- InChI
- 1S/C10H6N2O3S2/c13-9-8(17-10(16)11-9)5-6-3-1-2-4-7(6)12(14)15/h1-5H,(H,11,13,16)/b8-5+
- Synonyms
- (5Z)-5-(2-Nitrobenzylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one
- AKT Inhibitor VIII, Allosteric modulator of AKT serine/threonine kinase 1;Allosteric modulator of AKT serine/threonine kinase 2;Allosteric modulator of AKT serine/threonine kinase 3CAS: 612847-09-3 Formula: C34H29N7O Molecular Weight: 551.66Moligand™ ? 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 #: A425076View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-[1-[[4-(6-phenyl-8H-imidazo[4,5-g]quinoxalin-7-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
- SMILES
- C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8
- InChIKey
- IWCQHVUQEFDRIW-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- 2-[[(5-methylimidazol-4-yl)methyl]thio]ethaneamine | GTPL5921 | SMR002157258 | UNII-YX4CPQ6V6X | Akt-I 1,2 | VU045022...
- AL082D06CAS: 256925-03-8 Formula: C23H24ClN3O2 Molecular Weight: 409.9110mM in DMSO● In Stock — US warehouse, ships to EU* Item #: A422897View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[(2-chloro-5-nitrophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
- SMILES
- CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)C3=C(C=CC(=C3)[N+](=O)[O-])Cl
- InChIKey
- IPICUXHYPAMJNC-UHFFFAOYSA-N
- InChI
- 1S/C23H24ClN3O2/c1-25(2)18-9-5-16(6-10-18)23(17-7-11-19(12-8-17)26(3)4)21-15-20(27(28)29)13-14-22(21)24/h5-15,23H,1-4H3
- Synonyms
- AL 082D06(D-06) | MFCD00100145 | AKOS026750194 | HY-15709 | FT-0700273 | s6608 | A911349 | D 06 | SCHEMBL6556764 | AL...
- AL082D06CAS: 256925-03-8 Formula: C23H24ClN3O2 Molecular Weight: 409.91● In Stock — US warehouse, ships to EU* Item #: A413545View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[(2-chloro-5-nitrophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
- SMILES
- CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)C3=C(C=CC(=C3)[N+](=O)[O-])Cl
- InChIKey
- IPICUXHYPAMJNC-UHFFFAOYSA-N
- InChI
- 1S/C23H24ClN3O2/c1-25(2)18-9-5-16(6-10-18)23(17-7-11-19(12-8-17)26(3)4)21-15-20(27(28)29)13-14-22(21)24/h5-15,23H,1-4H3
- Synonyms
- AL 082D06(D-06) | MFCD00100145 | AKOS026750194 | HY-15709 | FT-0700273 | s6608 | A911349 | D 06 | SCHEMBL6556764 | AL...
- ALK inhibitor 2CAS: 761438-38-4 Formula: C23H28ClN7O3S Molecular Weight: 518.03Solid 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 #: A412447View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[[5-chloro-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide
- SMILES
- CNS(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCN(CC4)C)OC
- InChIKey
- NURCYJBMLKNYHB-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- AKOS026750636 | J-690349 | BCP10286 | 2-[[5-chloro-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amin...
- AM2232CAS: 335161-19-8 Formula: C24H20N2O Molecular Weight: 352.43● In Stock — US warehouse, ships to EU* Item #: A353501View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-[3-(naphthalene-1-carbonyl)indol-1-yl]pentanenitrile
- SMILES
- C1=CC=C2C(=C1)C=CC=C2C(=O)C3=CN(C4=CC=CC=C43)CCCCC#N
- InChIKey
- VWVAIBKHFCUSMD-UHFFFAOYSA-N
- InChI
- 1S/C24H20N2O/c25-15-6-1-7-16-26-17-22(20-12-4-5-14-23(20)26)24(27)21-13-8-10-18-9-2-3-11-19(18)21/h2-5,8-14,17H,1,6-7,16H2
- Synonyms
- AKOS025149520 | SCHEMBL16344147 | UNII-40KCH8YIKP | 40KCH8YIKP | (1-(4-Cyanobutyl)-3-(naphthalen-1-oyl)indole) | 5-(3...
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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.
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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.