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
24,642Navigate 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
102,635Explore 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)
19,700Find 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
- A 943931 dihydrochloride◐ .Made to order · 8–12 wks Item #: A275576View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 6-[(3R)-3-aminopyrrolidin-1-yl]-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine;dihydrochloride
- SMILES
- C1CC2=CC=CC=C2C3=C(C1)C(=NC(=N3)N)N4CCC(C4)N.Cl.Cl
- InChIKey
- ISYUFRNZHUOGLA-CURYUGHLSA-N
- InChI
- 1S/C17H21N5.2ClH/c18-12-8-9-22(10-12)16-14-7-3-5-11-4-1-2-6-13(11)15(14)20-17(19)21-16;;/h1-2,4,6,12H,3,5,7-10,18H2,(H2,19,20,21);2*1H/t12-;;/m1../s1
- Synonyms
- 4-[(3R)-3-Amino-1-pyrrolidinyl]-6,7-dihydro-5H-benzo[6,7]cyclohepta[1,2-d]pyrimidin-2-aminedihydrochloride
- A 987306CAS: 1082954-71-9 Formula: C18H25N5O Molecular Weight: 327.42◐ .Made to order · 8–12 wks Item #: A287221View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (7aR,11aR)-4-piperazin-1-yl-5,6,7a,8,9,10,11,11a-octahydro-[1]benzofuro[2,3-h]quinazolin-2-amine
- SMILES
- C1CCC2C(C1)C3=C(O2)CCC4=C3N=C(N=C4N5CCNCC5)N
- InChIKey
- DJKJVWJQAVGLHJ-WCQYABFASA-N
- InChI
- 1S/C18H25N5O/c19-18-21-16-12(17(22-18)23-9-7-20-8-10-23)5-6-14-15(16)11-3-1-2-4-13(11)24-14/h11,13,20H,1-10H2,(H2,19,21,22)/t11-,13+/m0/s1
- Synonyms
- cis-4-(piperazin-1-yl)-5,6,7a,8,9,10,11,11a-octahydro benzofuro[2,3-h]quinazolin-2-amine | AKOS040744968 | A 987306 |...
- (R)-(-)-Gossypol acetic acidCAS: 866541-93-7 Formula: C30H30O8·xC2H4O2 Molecular Weight: 518.55（free）● In Stock — US warehouse, ships to EU* Item #: A129929View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- acetic acid;7-(8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde
- SMILES
- CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=O)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C=O)O)O)C(C)C)O)O.CC(=O)O
- InChIKey
- NIOHNDKHQHVLKA-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- U9GNI6VT5N | AC-34098 | Acetic acid--1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-di(propan-2-yl)[2,2'-binaphthalene...
- DG 172 dihydrochloride● In Stock — US warehouse, ships to EU* Item #: D286571View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (Z)-2-(2-bromophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enenitrile;dihydrochloride
- SMILES
- CN1CCN(CC1)C2=CC=C(C=C2)C=C(C#N)C3=CC=CC=C3Br.Cl.Cl
- InChIKey
- SABUORLIDVBCPI-WTLOABTRSA-N
- InChI
- 1S/C20H20BrN3.2ClH/c1-23-10-12-24(13-11-23)18-8-6-16(7-9-18)14-17(15-22)19-4-2-3-5-20(19)21;;/h2-9,14H,10-13H2,1H3;2*1H/b17-14+;;
- Synonyms
- (αZ)-2-Bromo-α-[[4-(4-methyl-1-piperazinyl)phenyl]methylene]benzeneacetonitrile dihydrochloride
- DH 97CAS: 343263-95-6 Formula: C22H26N2O Molecular Weight: 334.46◐ .Made to order · 8–12 wks Item #: D339863View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[2-(2-benzyl-1H-indol-3-yl)ethyl]pentanamide
- SMILES
- CCCCC(=O)NCCC1=C(NC2=CC=CC=C21)CC3=CC=CC=C3
- InChIKey
- HDOIPCLEKCEANF-UHFFFAOYSA-N
- InChI
- 1S/C22H26N2O/c1-2-3-13-22(25)23-15-14-19-18-11-7-8-12-20(18)24-21(19)16-17-9-5-4-6-10-17/h4-12,24H,2-3,13-16H2,1H3,(H,23,25)
- Synonyms
- N-pentanoyl 2-benzyltryptamine | Q27077041 | HMS3267D11 | Pentanoic acid [2-(2-benzyl-1H-indol-3-yl)-ethyl]-amide | D...
- Apatinib-d8 HydrochlorideCAS: 2468771-44-8 Formula: C24H15D8N5O Molecular Weight: 441.98● In Stock — US warehouse, ships to EU* Item #: A391186View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- N-[4-(1-Cyanocyclopentyl-d8)phenyl]-2-[(4-pyridinylmethyl)amino]-3-pyridinecarboxamide
- TR 14035Solid ≥98%(HPLC)● In Stock — US warehouse, ships to EU* Item #: T287557View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(2,6-dimethoxyphenyl)phenyl]propanoic acid
- SMILES
- COC1=C(C(=CC=C1)OC)C2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3=C(C=CC=C3Cl)Cl
- InChIKey
- DRSJLVGDSNWQBI-SFHVURJKSA-N
- InChI
- show more
- Synonyms
- (2S)-2-((2,6-DICHLOROBENZOYL)AMINO)-3-(4-(2,6-DIMETHOXYPHENYL)PHENYL)PROPANOIC ACID | (S)-2-(2,6-Dichlorobenzamido)-3...
- Azaguanine-8Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥95%● In Stock — US warehouse, ships to EU* Item #: A129567View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-amino-2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one
- SMILES
- C12=NNN=C1N=C(NC2=O)N
- InChIKey
- LPXQRXLUHJKZIE-UHFFFAOYSA-N
- InChI
- 1S/C4H4N6O/c5-4-6-2-1(3(11)7-4)8-10-9-2/h(H4,5,6,7,8,9,10,11)
- Synonyms
- 8-AzaG | A0625 | HY-113358 | NCGC00188264-01 | 7H-1,2,3-Triazolo(4,5-d)pyrimidinone, 5-amino-1,4-dihydro- | LINOLENIC...
- Azasetron HClCAS: 123040-16-4 Formula: C17H20ClN3O3·HCl Molecular Weight: 386.27● In Stock — US warehouse, ships to EU* Item #: A129701View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide;hydrochloride
- SMILES
- CN1C(=O)COC2=C(C=C(C=C21)Cl)C(=O)NC3CN4CCC3CC4.Cl
- InChIKey
- DBMKBKPJYAHLQP-UHFFFAOYSA-N
- InChI
- 1S/C17H20ClN3O3.ClH/c1-20-14-7-11(18)6-12(16(14)24-9-15(20)22)17(23)19-13-8-21-4-2-10(13)3-5-21;/h6-7,10,13H,2-5,8-9H2,1H3,(H,19,23);1H
- Synonyms
- DTXSID00924358 | N-1-Azabicyclo[2.2.2]-oct-3-yl-6-chloro-3,4-dihydro-4-methyl-3-oxo-2H-1,4-benzoxazine-8-carboxamide ...
- AUDACAS: 479413-70-2 Formula: C23H40N2O3 Molecular Weight: 392.58● In Stock — US warehouse, ships to EU* Item #: A346203View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 12-(1-adamantylcarbamoylamino)dodecanoic acid
- SMILES
- C1C2CC3CC1CC(C2)(C3)NC(=O)NCCCCCCCCCCCC(=O)O
- InChIKey
- XLGSEOAVLVTJDH-UHFFFAOYSA-N
- InChI
- 1S/C23H40N2O3/c26-21(27)10-8-6-4-2-1-3-5-7-9-11-24-22(28)25-23-15-18-12-19(16-23)14-20(13-18)17-23/h18-20H,1-17H2,(H,26,27)(H2,24,25,28)
- Synonyms
- 12-[[(tricyclo[3.3.1.13,7]dec-1-ylamino)carbonyl]amino]-dodecanoic acid | HY-108570 | S0752 | MFCD12912267 | 12-(3-ad...
- MoTPCAS: 57055-82-0 Formula: C14H21NO2S Molecular Weight: 267.39Solid 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 #: M275462View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(4-morpholin-4-ylbutylsulfanyl)phenol
- SMILES
- C1COCCN1CCCCSC2=CC=C(C=C2)O
- InChIKey
- YHKNLUTUXZDOQI-UHFFFAOYSA-N
- InChI
- 1S/C14H21NO2S/c16-13-3-5-14(6-4-13)18-12-2-1-7-15-8-10-17-11-9-15/h3-6,16H,1-2,7-12H2
- Synonyms
- 4-(4-Morpholinobutylthio)phenol | 4-{[4-(MORPHOLIN-4-YL)BUTYL]SULFANYL}PHENOL | MoTP, >=98% (HPLC) | 4-(4-morpholin-4...
- DIF-1CAS: 111050-72-7 Formula: C13H16Cl2O4 Molecular Weight: 307.2◐ .Made to order · 8–12 wks Item #: D275774View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one
- SMILES
- CCCCCC(=O)C1=C(C(=C(C(=C1O)Cl)OC)Cl)O
- InChIKey
- VUDQSRFCCHQIIU-UHFFFAOYSA-N
- InChI
- 1S/C13H16Cl2O4/c1-3-4-5-6-7(16)8-11(17)9(14)13(19-2)10(15)12(8)18/h17-18H,3-6H2,1-2H3
- Synonyms
- Q27133348 | DIF 1 | Differentiation-inducing factor 1 | DIF-1 | DIF factor | C13H16Cl2O4 | DTXSID10149474 | Morphogen...
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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.