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
24,639Navigate 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
2,815PROTAC 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
102,615Explore 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
- JNJ-63576253 HClLiquid 10mM in DMSO◐ .Made to order · 8–12 wks Item #: J580426View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-[8-oxo-5-(6-piperidin-4-yloxypyridin-3-yl)-6-sulfanylidene-5,7-diazaspiro[3.4]octan-7-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile;hydrochloride
- SMILES
- C1CC2(C1)C(=O)N(C(=S)N2C3=CN=C(C=C3)OC4CCNCC4)C5=CC(=C(N=C5)C#N)C(F)(F)F.Cl
- InChIKey
- QDINJYHLAKIZLE-UHFFFAOYSA-N
- InChI
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- IDRA-21, Allosteric modulator of GluA1;Allosteric modulator of GluA2;Allosteric modulator of GluA3;Allosteric modulator of GluA4Moligand™ ? 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 #: I580416View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 7-chloro-3-methyl-3,4-dihydro-2H-1位6,2,4-benzothiadiazine 1,1-dioxide
- SMILES
- CC1NC2=C(C=C(C=C2)Cl)S(=O)(=O)N1
- InChIKey
- VZRNTCHTJRLTMU-UHFFFAOYSA-N
- InChI
- 1S/C8H9ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-5,10-11H,1H3
- Synonyms
- 7-Chloro-3-methyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide | AKOS024456473 | SR-01000597374-1 | UNII-689UW7P...
- IngenolCAS: 30220-46-3 Formula: C20H28O5 Molecular Weight: 348.4310mM in DMSO● In Stock — US warehouse, ships to EU* Item #: I580420View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (1S,4S,5R,6R,9S,10R,12R,14R)-4,5,6-trihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyltetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dien-15-one
- SMILES
- CC1CC2C(C2(C)C)C3C=C(C(C4(C1(C3=O)C=C(C4O)C)O)O)CO
- InChIKey
- VEBVPUXQAPLADL-POYOOMFHSA-N
- InChI
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- Synonyms
- ingenol|30220-46-3|(1aR,2S,5R,5aR,6S,8aS,9R,10aR)-5,5a,6-trihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-1a,2,5,5a,6...
- IsosteviolCAS: 27975-19-5 Formula: C20H30O3 Molecular Weight: 318.4510mM in DMSO● In Stock — US warehouse, ships to EU* Item #: I580423View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (1R,4S,5R,9S,10R,13S)-5,9,13-trimethyl-14-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
- SMILES
- CC12CCC3C4(CCCC(C4CCC3(C1)CC2=O)(C)C(=O)O)C
- InChIKey
- KFVUFODCZDRVSS-XGBBNYNSSA-N
- InChI
- 1S/C20H30O3/c1-17-9-5-14-18(2)7-4-8-19(3,16(22)23)13(18)6-10-20(14,12-17)11-15(17)21/h13-14H,4-12H2,1-3H3,(H,22,23)/t13-,14-,17-,18+,19+,20-/m0/s1
- Synonyms
- MFCD28411514 | NCGC00485884-01 | A876816 | CCRIS 6121 | (4R,4aS,6aR,9S,11aR,11bS)-4,9,11b-Trimethyl-8-oxotetradecahyd...
- JH-X-119-01CAS: 2227368-54-7 Formula: C25H20N6O3 Molecular Weight: 452.46Liquid 10mM in DMSO◐ .Made to order · 8–12 wks Item #: J580425View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[4-[[3-(prop-2-enoylamino)benzoyl]amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
- SMILES
- C=CC(=O)NC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CC(=N3)C4=CC=NN4
- InChIKey
- WQVPGYMGERDXLH-UHFFFAOYSA-N
- InChI
- show more
- 1-(5-Iodonaphthalene-1-sulfonyl)-1H-hexahydro-1，4 -diazepine， HydrochlorideCAS: 110448-33-4 Formula: C15H18ClIN2O2S Molecular Weight: 452.7410mM in DMSO◐ .Made to order · 8–12 wks Item #: I580271View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-(5-iodonaphthalen-1-yl)sulfonyl-1,4-diazepane;hydrochloride
- SMILES
- C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CC=C3I.Cl
- InChIKey
- KDDALCDYHZIZMH-UHFFFAOYSA-N
- InChI
- 1S/C15H17IN2O2S.ClH/c16-14-6-1-5-13-12(14)4-2-7-15(13)21(19,20)18-10-3-8-17-9-11-18;/h1-2,4-7,17H,3,8-11H2;1H
- Synonyms
- A802196 | methoxy acetic acid chloride | 1-[(5-iodo-1-naphthalenyl)sulfonyl]-1,4-diazepane hydrochloride | FT-0605793...
- Imeglimin (EMD 387008) HydrochlorideCAS: 775351-61-6 Formula: C6H14ClN5 Molecular Weight: 191.66Liquid 10mM in DMSO◐ .Made to order · 8–12 wks Item #: I580418View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (4R)-6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;hydrochloride
- SMILES
- CC1N=C(NC(=N1)N(C)C)N.Cl
- InChIKey
- UXHLCYMTNMEXKZ-PGMHMLKASA-N
- InChI
- 1S/C6H13N5.ClH/c1-4-8-5(7)10-6(9-4)11(2)3;/h4H,1-3H3,(H3,7,8,9,10);1H/t4-;/m1./s1
- Synonyms
- Imeglimin hydrochloride|775351-61-6|Imeglimin (hydrochloride)|Imeglimin HCl|Imeglimin monohydrochloride|MN7P3P5BYB|EM...
- Indirubin-3′-oximeCAS: 667463-82-3 Formula: C16H11N3O2 Molecular Weight: 277.28Liquid 10mM in DMSO◐ .Made to order · 8–12 wks Item #: I580419View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol
- SMILES
- C1=CC=C2C(=C1)C(=C(N2)O)C3=C(C4=CC=CC=C4N3)N=O
- InChIKey
- FQCPPVRJPILDIK-UHFFFAOYSA-N
- InChI
- 1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17-18,20H
- Synonyms
- BSPBio_001108 | UNII-X6CSG51MBQ | BDBM54681 | BCBcMAP01_000150 | HBDSHCUSXQATPO-BGBJRWHRSA-N | Indirubin 3'-monoxime ...
- IsoacteosideCAS: 61303-13-7 Formula: C29H36O15 Molecular Weight: 624.5910mM in DMSO● In Stock — US warehouse, ships to EU* Item #: I580421View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CC1C(C(C(C(O1)OC2C(C(OC(C2O)OCCC3=CC(=C(C=C3)O)O)COC(=O)C=CC4=CC(=C(C=C4)O)O)O)O)O)O
- InChIKey
- FNMHEHXNBNCPCI-QEOJJFGVSA-N
- InChI
- show more
- Synonyms
- isoverbascoside | Isoacteoside | iso-acteoside | CCG-270268 | MFCD06798947 | Verbascoside,(S) | SCHEMBL151396 | Isoac...
- IsoliquiritinCAS: 5041-81-6 Formula: C21H22O9 Molecular Weight: 418.3910mM in DMSO● In Stock — US warehouse, ships to EU* Item #: I580422View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (E)-1-(2,4-dihydroxyphenyl)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one
- SMILES
- C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O
- InChIKey
- YNWXJFQOCHMPCK-LXGDFETPSA-N
- InChI
- show more
- Synonyms
- Carboxycyclopropylamine | NSC 6493 | 2-PROPEN-1-ONE, 1-(2,4-DIHYDROXYPHENYL)-3-(4-(.BETA.-D-GLUCOPYRANOSYLOXY)PHENYL)...
- JH-X-119-01CAS: 2227368-54-7 Formula: C25H20N6O3 Molecular Weight: 452.46● In Stock — US warehouse, ships to EU* Item #: J420000View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[4-[[3-(prop-2-enoylamino)benzoyl]amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
- SMILES
- C=CC(=O)NC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CC(=N3)C4=CC=NN4
- InChIKey
- WQVPGYMGERDXLH-UHFFFAOYSA-N
- InChI
- show more
- KEA1-97CAS: 2138882-71-8 Formula: C15H9Cl2FN4 Molecular Weight: 335.16● In Stock — US warehouse, ships to EU* Item #: K419997View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4,6-dichloro-N-[4-(4-fluorophenyl)phenyl]-1,3,5-triazin-2-amine
- SMILES
- C1=CC(=CC=C1C2=CC=C(C=C2)F)NC3=NC(=NC(=N3)Cl)Cl
- InChIKey
- DUROVTLUQOYUPH-UHFFFAOYSA-N
- InChI
- 1S/C15H9Cl2FN4/c16-13-20-14(17)22-15(21-13)19-12-7-3-10(4-8-12)9-1-5-11(18)6-2-9/h1-8H,(H,19,20,21,22)
- Synonyms
- 4,6-Dichloro-N-(4′-fluoro-[1,1′-biphenyl]-4-yl)-1,3,5-triazin-2-amine
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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.