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
- Imidazo[1,2-a]pyrimidine-3-carboxylic acidCAS: 64951-11-7 Formula: C7H5N3O2 Molecular Weight: 163.14◐ .Made to order · 8–12 wks Item #: I341292View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- imidazo[1,2-a]pyrimidine-3-carboxylic acid
- SMILES
- C1=CN2C(=CN=C2N=C1)C(=O)O
- InChIKey
- HZXJBCVANGLSGC-UHFFFAOYSA-N
- InChI
- 1S/C7H5N3O2/c11-6(12)5-4-9-7-8-2-1-3-10(5)7/h1-4H,(H,11,12)
- Synonyms
- W10235 | AKOS005264504 | J-521507 | W-60391 | FT-0698761 | MFCD09994697 | Z1198268370 | EN300-98690 | TS-00116 | AM20...
- Imidazo[2,1-b]benzothiazole-2-carboxylic acidCAS: 64951-09-3 Formula: C10H6N2O2S Molecular Weight: 218.24● In Stock — US warehouse, ships to EU* Item #: I341293View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- imidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid
- SMILES
- C1=CC=C2C(=C1)N3C=C(N=C3S2)C(=O)O
- InChIKey
- RPTIDKXUZBSTRL-UHFFFAOYSA-N
- InChI
- 1S/C10H6N2O2S/c13-9(14)6-5-12-7-3-1-2-4-8(7)15-10(12)11-6/h1-5H,(H,13,14)
- Synonyms
- A867782 | Imidazo[2,1-b]benzothiazole-2-carboxylicacid | Peakdale1_000152 | AKOS009158837 | SCHEMBL2425146 | Benzo[d]...
- Ilomastat (GM6001, Galardin), Inhibitor of ADAM10;Inhibitor of ADAM12;Inhibitor of ADAM17;Inhibitor of ADAM9;Inhibitor of MMP1;Inhibitor of MMP12;Inhibitor of MMP13;Inhibitor of MMP14;Inhibitor of MMP15;Inhibitor of MMP16;Inhibitor of MMP17;Inhibitor of MMP2;Inhibitor of MMP26;InhibitCAS: 142880-36-2 Formula: C20H28N4O4 Molecular Weight: 388.5Moligand™ ? 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 #: I408289View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- Butanediamide, N4-hydroxy-N1-[(1S)-1-(1H-indol-3-ylmethyl)-2-(methylamino)-2-oxoethyl]-2-(2-methylpropyl)-, (2R)-
- Iloperidone, Serotonin 2a (5-HT2a) receptor antagonistMoligand™ ? 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 #: I408549View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- HP873 | 1-(4-(3-(4-(6-fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)propoxy)-3-methoxyphenyl)ethanone
- Iloperidone metabolite Hydroxy IloperidoneCAS: 133454-55-4 Formula: C24H29FN2O4 Molecular Weight: 428.5◐ .Made to order · 8–12 wks Item #: I302415View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanol
- SMILES
- CC(C1=CC(=C(C=C1)OCCCN2CCC(CC2)C3=NOC4=C3C=CC(=C4)F)OC)O
- InChIKey
- SBKZGLWZGZQVHA-UHFFFAOYSA-N
- InChI
- 1S/C24H29FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-17,28H,3,8-13H2,1-2H3
- Synonyms
- 4-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propoxy]-3-methoxy-alpha-methyl-benzenemethanol | 4-Amino-L-ph...
- Iloprost-d4 (Major)CAS: 1035094-10-0 Formula: C22H28D4O4 Molecular Weight: 364.51◐ .Made to order · 8–12 wks Item #: I340235View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- (5E)-5-[(3aS,4R,5R,6aS)-Hexahydro-5-hydroxy-4-[(1E,3S)-3-hydroxy-4-methyl-1-octen-6-yn-1-yl]-2(1H)-pentalenylidene]pe...
- Imatinib (STI571), Inhibitor of ABL proto-oncogene 1; non-receptor tyrosine kinase;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 warehouse, ships to EU* Item #: I407799View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- Gleevec, Glivec, CGP057148B | 4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-py...
- Imidazolo-oxindole PKR inhibitor C16, Inhibitor of eukaryotic translation initiation factor 2 alpha 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◐ .Made to order · 8–12 wks Item #: I425038View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (8Z)-8-(1H-imidazol-5-ylmethylidene)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one
- SMILES
- C1=CC2=C(C3=C1NC(=O)C3=CC4=CN=CN4)SC=N2
- InChIKey
- VFBGXTUGODTSPK-BAQGIRSFSA-N
- InChI
- 1S/C13H8N4OS/c18-13-8(3-7-4-14-5-15-7)11-9(17-13)1-2-10-12(11)19-6-16-10/h1-6H,(H,14,15)(H,17,18)/b8-3-
- Synonyms
- PKR-IN-C16 | 6,8-Dihydro-8-(1H-imidazol-5-ylmethylene)-7H-pyrrolo[2,3-g]benzothiazol-7-one | AKOS025147356 | SCHEMBL9...
- Iminostilbene10mM in DMSO● In Stock — US warehouse, ships to EU* Item #: I422898View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 11H-benzo[b][1]benzazepine
- SMILES
- C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2
- InChIKey
- LCGTWRLJTMHIQZ-UHFFFAOYSA-N
- InChI
- 1S/C14H11N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-10,15H
- Synonyms
- (Z)-5H-Dibenzo[b,f]azepine | Dibenz(b,f)azepine | W-107225 | s4973 | NCGC00246953-01 | Stilbene, 2,2'-imino- | 5H-dib...
- Imipenem monohydrateCAS: 74431-23-5 EC Number: 264-734-5 PubChem CID: 5282372 Formula: C12H17N3O4S · H2O Molecular Weight: 317.3610mM in Water● In Stock — US warehouse, ships to EU* Item #: I425795View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (5R,6S)-3-[2-(aminomethylideneamino)ethylsulfanyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;hydrate
- SMILES
- CC(C1C2CC(=C(N2C1=O)C(=O)O)SCCN=CN)O.O
- InChIKey
- GSOSVVULSKVSLQ-JJVRHELESA-N
- InChI
- 1S/C12H17N3O4S.H2O/c1-6(16)9-7-4-8(20-3-2-14-5-13)10(12(18)19)15(7)11(9)17;/h5-7,9,16H,2-4H2,1H3,(H2,13,14)(H,18,19);1H2/t6-,7-,9-;/m1./s1
- Synonyms
- (5R,6S)-3-((2-Formimidamidoethyl)thio)-6-((R)-1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid h...
- Imipramine Hydrochloride, Norepinephrine transporter inhibitorCAS: 113-52-0 Formula: C19H24N2·HCl Molecular Weight: 316.8710mM in DMSO● In Stock — US warehouse, ships to EU* Item #: I420682View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;hydrochloride
- SMILES
- CN(C)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31.Cl
- InChIKey
- XZZXIYZZBJDEEP-UHFFFAOYSA-N
- InChI
- 1S/C19H24N2.ClH/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21;/h3-6,8-11H,7,12-15H2,1-2H3;1H
- Synonyms
- Imipramine hydrochloride|113-52-0|Imipramine Hcl|Tofranil|Chimoreptin|Chrytemin|Presamine|Pryleugan|Deprinol|Feinalmi...
- ImperialineCAS: 61825-98-7 Formula: C27H43NO3 Molecular Weight: 429.6410mM in DMSO● In Stock — US warehouse, ships to EU* Item #: I425121View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (1R,2S,6S,9S,10S,11R,14S,15S,18S,20S,23R,24S)-10,20-dihydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one
- SMILES
- CC1CCC2C(C3CCC4C(C3CN2C1)CC5C4CC(=O)C6C5(CCC(C6)O)C)(C)O
- InChIKey
- IQDIERHFZVCNRZ-LRCDAWNTSA-N
- InChI
- show more
- Synonyms
- Imperialine|sipeimine|61825-98-7|Kashmirine|Cevan-6-one, 3,20-dihydroxy-, (3-beta,5-alpha,17-beta)-|JKN43410XZ|(1R,2S...
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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.