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
102,623Explore 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 (where available)—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
- Ruxolitinib (INCB018424)CAS: 941678-49-5 EC Number: 107-728-9 PubChem CID: 25126798 Formula: C17H18N6 Molecular Weight: 306.37Solid 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 #: R126338View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile
- SMILES
- C1CCC(C1)C(CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3
- InChIKey
- HFNKQEVNSGCOJV-OAHLLOKOSA-N
- InChI
- 1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1
- Synonyms
- INCB 018424 | INCB018424 | INCB-018424 | (betaR)-beta-Cyclopentyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazole-1-p...
- SA 4503 dihydrochloride● In Stock — US warehouse, ships to EU* Item #: S286544View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-phenylpropyl)piperazine;dihydrochloride
- SMILES
- COC1=C(C=C(C=C1)CCN2CCN(CC2)CCCC3=CC=CC=C3)OC.Cl.Cl
- InChIKey
- XWOXAKBQEMQMFH-UHFFFAOYSA-N
- InChI
- 1S/C23H32N2O2.2ClH/c1-26-22-11-10-21(19-23(22)27-2)12-14-25-17-15-24(16-18-25)13-6-9-20-7-4-3-5-8-20;;/h3-5,7-8,10-11,19H,6,9,12-18H2,1-2H3;2*1H
- Synonyms
- 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-phenylpropyl)piperazine Dihydrochloride | 1-[2-(3,4-Dimethoxyphenyl)ethyl]-4-(3...
- S-(4-Nitrobenzyl)-6-thioinosine● In Stock — US warehouse, ships to EU* Item #: S133827View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]oxolane-3,4-diol
- SMILES
- C1=CC(=CC=C1CSC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)[N+](=O)[O-]
- InChIKey
- DYCJFJRCWPVDHY-LSCFUAHRSA-N
- InChI
- show more
- Synonyms
- NBMPR | NBTI | S6-(4-nitrobenzyl)mercaptopurine riboside | S-4-nitrophenylmethyl-6-thioinosine | (2R,3S,4R,5R)-2-(hyd...
- SAR245409 (XL765)CAS: 1349796-36-6 Formula: C31H29N5O6S Molecular Weight: 599.66● In Stock — US warehouse, ships to EU* Item #: S129513View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[4-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-3-methoxy-4-methylbenzamide
- SMILES
- CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC
- InChIKey
- HJSSPYJVWLTYHG-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- XL-147 derivative 1 | N-[4-({3-[(3,5-dimethoxyphenyl)amino]quinoxalin-2-yl}sulfamoyl)phenyl]-3-methoxy-4-methylbenzam...
- N,N-Dicyclohexyl-2-benzothiazolesulfenamide● In Stock — US warehouse, ships to EU* Item #: S303815View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclohexylcyclohexanamine
- SMILES
- C1CCC(CC1)N(C2CCCCC2)SC3=NC4=CC=CC=C4S3
- InChIKey
- CMAUJSNXENPPOF-UHFFFAOYSA-N
- InChI
- 1S/C19H26N2S2/c1-3-9-15(10-4-1)21(16-11-5-2-6-12-16)23-19-20-17-13-7-8-14-18(17)22-19/h7-8,13-16H,1-6,9-12H2
- Synonyms
- S-(Benzo[d]thiazol-2-yl)-N,N-dicyclohexylthiohydroxylamine | N,N-Dicyclohexyl-2-benzothiazolsulfene amide | DCBS
- S-(N-Methylsulfinylbutylthiocarbamoyl)-glutathione◐ .Made to order · 8–12 wks Item #: S276344View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- S-(N-Methylsulfinylbutylthiocarbamoyl)-glutathione
- SB-277011-A dihydrochlorideCAS: 1226917-67-4 Formula: C28H30N4O.2HCl Molecular Weight: 511.49● In Stock — US warehouse, ships to EU* Item #: S275039View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]quinoline-4-carboxamide;dihydrochloride
- SMILES
- C1CC(CCC1CCN2CCC3=C(C2)C=CC(=C3)C#N)NC(=O)C4=CC=NC5=CC=CC=C45.Cl.Cl
- InChIKey
- HEZIOTGUXSPDAK-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- N-[trans-4-[2-(6-Cyano-3,4-dihydro-2(1H)-isoquinolinyl)ethyl]cyclohexyl]-4-quinolinecarboxamidedihydrochloride
- Potassium (4-methoxy)benzyloxymethyltrifluoroborate● In Stock — US warehouse, ships to EU* Item #: P343712View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- potassium;trifluoro-[(4-methoxyphenyl)methoxymethyl]boranuide
- SMILES
- [B-](COCC1=CC=C(C=C1)OC)(F)(F)F.[K+]
- InChIKey
- HWHMOMQODHUMRW-UHFFFAOYSA-N
- InChI
- 1S/C9H11BF3O2.K/c1-14-9-4-2-8(3-5-9)6-15-7-10(11,12)13;/h2-5H,6-7H2,1H3;/q-1;+1
- Synonyms
- Potassium 4'-methoxybenzyloxymethyltrifluoroborate | SY068100 | AKOS013015599 | Borate(1-), trifluoro[[(4-methoxyphen...
- 6-Bromochroman-2-oneCAS: 20921-00-0 Formula: C9H7BrO2 Molecular Weight: 227.05● In Stock — US warehouse, ships to EU* Item #: B302764View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 6-bromo-3,4-dihydrochromen-2-one
- SMILES
- C1CC(=O)OC2=C1C=C(C=C2)Br
- InChIKey
- FFZQWUVOIMYRKC-UHFFFAOYSA-N
- InChI
- 1S/C9H7BrO2/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h2-3,5H,1,4H2
- Synonyms
- 2H-1-Benzopyran-2-one, 6-bromo-3,4-dihydro- | 6-Bromo-chroman-2-one | 6-bromochroman-2-one | NCIOpen2_007193 | MFCD13...
- TCS 46b● In Stock — US warehouse, ships to EU* Item #: T286863View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-[3-(4-benzylpiperidin-1-yl)prop-1-ynyl]-1,3-dihydrobenzimidazol-2-one
- SMILES
- C1CN(CCC1CC2=CC=CC=C2)CC#CC3=CC4=C(C=C3)NC(=O)N4
- InChIKey
- JJEXWPHPFZLTCU-UHFFFAOYSA-N
- InChI
- 1S/C22H23N3O/c26-22-23-20-9-8-18(16-21(20)24-22)7-4-12-25-13-10-19(11-14-25)15-17-5-2-1-3-6-17/h1-3,5-6,8-9,16,19H,10-15H2,(H2,23,24,26)
- Synonyms
- HY-107707 | AKOS024457292 | 5-(3-(4-benzylpiperidin-1-yl)prop-1-ynyl)-1H-benzo[d]imidazol-2(3H)-one | BDBM50091637 | ...
- N1,N3,N5-Tri(Pyridin-4-Yl)Benzene-1,3,5-TricarboxamideCAS: 725274-03-3 Formula: C24H18N6O3 Molecular Weight: 438.438Solid ≥98%● In Stock — US warehouse, ships to EU* Item #: B304481View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-N,3-N,5-N-tripyridin-4-ylbenzene-1,3,5-tricarboxamide
- SMILES
- C1=CN=CC=C1NC(=O)C2=CC(=CC(=C2)C(=O)NC3=CC=NC=C3)C(=O)NC4=CC=NC=C4
- InChIKey
- PFHCOOYBRXRFAM-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- TPBTC
- 6-Chloro-3-iodo-imidazo[1,2-b]pyridazine● In Stock — US warehouse, ships to EU* Item #: C304980View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 6-chloro-3-iodoimidazo[1,2-b]pyridazine
- SMILES
- C1=CC(=NN2C1=NC=C2I)Cl
- InChIKey
- IWHCPHZAMFSDFM-UHFFFAOYSA-N
- InChI
- 1S/C6H3ClIN3/c7-4-1-2-6-9-3-5(8)11(6)10-4/h1-3H
- Synonyms
- A844208 | SCHEMBL2943467 | BCP07796 | SY110201 | J-518549 | Z1269213261 | DTXSID40693117 | MFCD11044749 | AKOS0159504...
![6-Chloro-3-iodo-imidazo[1,2-b]pyridazine - ≥96% CAS No(923595-49-7) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/C/3/C304980.png)
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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.