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
24,653Navigate 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
2,812PROTAC 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
102,662Explore 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)
19,717Find 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)
8,794Shop 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
- Boc-DL-7-azatryptophanCAS: 129423-33-2 Formula: C15H19N3O4 Molecular Weight: 305.34● In Stock — US warehouse, ships to EU* Item #: B356478View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid
- SMILES
- CC(C)(C)OC(=O)NC(CC1=CNC2=C1C=CC=N2)C(=O)O
- InChIKey
- FDLAXTKUGQAPTA-UHFFFAOYSA-N
- InChI
- 1S/C15H19N3O4/c1-15(2,3)22-14(21)18-11(13(19)20)7-9-8-17-12-10(9)5-4-6-16-12/h4-6,8,11H,7H2,1-3H3,(H,16,17)(H,18,21)(H,19,20)
- Synonyms
- Boc-7-aza-L-tryptophan | MFCD02682350 | FT-0688229 | A888856 | BOC-DL-7-AZATRYPTOPHAN | PB47451 | 2-{[(tert-butoxy)ca...
- Boc-DL-alpha-tert-butyl-Gly-OHCAS: 102185-35-3 Formula: C11H21NO4 Molecular Weight: 231.3● In Stock — US warehouse, ships to EU* Item #: B356621View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
- SMILES
- CC(C)(C)C(C(=O)O)NC(=O)OC(C)(C)C
- InChIKey
- LRFZIPCTFBPFLX-UHFFFAOYSA-N
- InChI
- 1S/C11H21NO4/c1-10(2,3)7(8(13)14)12-9(15)16-11(4,5)6/h7H,1-6H3,(H,12,15)(H,13,14)
- Synonyms
- 2-{[(tert-butoxy)carbonyl]amino}-3,3-dimethylbutanoic acid | AKOS009158949 | DL-Valine, N-[(1,1-dimethylethoxy)carbon...
- Galantide● In Stock — US warehouse, ships to EU* Item #: G118954View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- show more
- InChIKey
- TZOJVPDIYKRJSM-GKPUQKAJSA-N
- InChI
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- Synonyms
- M15 | DTXSID00160714 | Galantide, >=90% (HPLC) | L-Methioninamide,glycyl-L-tryptophyl-L-threonyl-L-Leucyl-L-asparagin...
- GaliellalactoneCAS: 133613-71-5 Formula: C11H14O3 Molecular Weight: 194.23◐ .Made to order · 8–12 wks Item #: G276337View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (4R,7R,9S,11S)-11-hydroxy-9-methyl-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one
- SMILES
- CC1CC2CCC3C2(C(=C1)C(=O)O3)O
- InChIKey
- SOIISBQQYAGDKM-QJSROADHSA-N
- InChI
- 1S/C11H14O3/c1-6-4-7-2-3-9-11(7,13)8(5-6)10(12)14-9/h5-7,9,13H,2-4H2,1H3/t6-,7+,9+,11-/m0/s1
- Synonyms
- (4S,5aR,7aR,7bS)-7b-Hydroxy-4-methyl-5,5a,6,7,7a,7b-hexahydroindeno[1,7-bc]furan-2(4H)-one
- BrusatolCAS: 14907-98-3 Formula: C26H32O11 Molecular Weight: 520.53● In Stock — US warehouse, ships to EU* Item #: B167412View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
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- SMILES
- CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C)(OC5)C(=O)OC)O)O)C)O
- InChIKey
- ZZZYHIMVKOHVIH-VILODJCFSA-N
- InChI
- show more
- Synonyms
- NSC 172924 | methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-10,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)...
- Ampiroxicam● In Stock — US warehouse, ships to EU* Item #: A129352View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- ethyl 1-[[2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)-1λ6,2-benzothiazin-4-yl]oxy]ethyl carbonate
- SMILES
- CCOC(=O)OC(C)OC1=C(N(S(=O)(=O)C2=CC=CC=C21)C)C(=O)NC3=CC=CC=N3
- InChIKey
- LSNWBKACGXCGAJ-UHFFFAOYSA-N
- InChI
- 1S/C20H21N3O7S/c1-4-28-20(25)30-13(2)29-18-14-9-5-6-10-15(14)31(26,27)23(3)17(18)19(24)22-16-11-7-8-12-21-16/h5-13H,4H2,1-3H3,(H,21,22,24)
- Synonyms
- CP65703 | Ampiroxicam [INN:BAN:JAN] | Ampiroxicamum | NCGC00164605-02 | AMPIROXICAM [MI] | AC-32693 | AKOS015900478 |...
- Cytosine β-D-arabinofuranoside hydrochlorideSolid ≥99%● In Stock — US warehouse, ships to EU* Item #: C139195View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;hydrochloride
- SMILES
- C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O.Cl
- InChIKey
- KCURWTAZOZXKSJ-JBMRGDGGSA-N
- InChI
- 1S/C9H13N3O5.ClH/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8;/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16);1H/t4-,6-,7+,8-;/m1./s1
- Synonyms
- 2(1H)-Pyrimidinone, 4-amino-1-beta-D-arabinofuranosyl-, monohydrochloride | Aracytin hydrochloride | Cytosine beta-D-...
- SL-327, Inhibitor of mitogen-activated protein kinase kinase 2CAS: 305350-87-2 EC Number: 878-717-0 PubChem CID: 9549284 Formula: C16H12F3N3S Molecular Weight: 335.35Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98% mixture of isomers● In Stock — US warehouse, ships to EU* Item #: S125929View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (Z)-3-amino-3-(4-aminophenyl)sulfanyl-2-[2-(trifluoromethyl)phenyl]prop-2-enenitrile
- SMILES
- C1=CC=C(C(=C1)C(=C(N)SC2=CC=C(C=C2)N)C#N)C(F)(F)F
- InChIKey
- JLOXTZFYJNCPIS-FYWRMAATSA-N
- InChI
- 1S/C16H12F3N3S/c17-16(18,19)14-4-2-1-3-12(14)13(9-20)15(22)23-11-7-5-10(21)6-8-11/h1-8H,21-22H2/b15-13+
- Synonyms
- CCG-206867 | STL555675 | Benzeneacetonitrile, alpha-[amino[(4-aminophenyl)thio]methylene]-2-(trifluoromethyl)- | HY-1...
- SM 324405● In Stock — US warehouse, ships to EU* Item #: S288301View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- methyl 2-[3-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]acetate
- SMILES
- CCCCOC1=NC(=C2C(=N1)N(C(=O)N2)CC3=CC=CC(=C3)CC(=O)OC)N
- InChIKey
- MXILFZWMVNDOIZ-UHFFFAOYSA-N
- InChI
- 1S/C19H23N5O4/c1-3-4-8-28-18-22-16(20)15-17(23-18)24(19(26)21-15)11-13-7-5-6-12(9-13)10-14(25)27-2/h5-7,9H,3-4,8,10-11H2,1-2H3,(H,21,26)(H2,20,22,23)
- Synonyms
- Methyl 3-[(6-amino-2-butoxy-7,8-dihydro-8-oxo-9H-purin-9-yl)methyl]benzeneacetate
- Amsacrine, DNA topoisomerase II inhibitor● In Stock — US warehouse, ships to EU* Item #: A303844View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide
- SMILES
- COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC=CC3=NC4=CC=CC=C42
- InChIKey
- XCPGHVQEEXUHNC-UHFFFAOYSA-N
- InChI
- 1S/C21H19N3O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13,24H,1-2H3,(H,22,23)
- Synonyms
- Acridinyl Anisidide | EN300-7481264 | NCGC00015113-01 | 4'-(9-Acridinylamino)methanesulphon-m-anisidide | Amsidyl (TN...
- Amyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-b-D-glucopyranosideCAS: 146288-30-4 Formula: C19H31NO9 Molecular Weight: 417.45● In Stock — US warehouse, ships to EU* Item #: A354232View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (5-acetamido-3,4-diacetyloxy-6-pentoxyoxan-2-yl)methyl acetate
- SMILES
- CCCCCOC1C(C(C(C(O1)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C
- InChIKey
- VWZQHRQPSJCOMU-UHFFFAOYSA-N
- InChI
- 1S/C19H31NO9/c1-6-7-8-9-25-19-16(20-11(2)21)18(28-14(5)24)17(27-13(4)23)15(29-19)10-26-12(3)22/h15-19H,6-10H2,1-5H3,(H,20,21)
- Synonyms
- AC1N7QGJ | (5-acetamido-3,4-diacetyloxy-6-pentoxy-oxan-2-yl)methyl ethanoate | AKOS021983921 | A808476 | HMS641J02 | ...
- OM173-alphaACAS: 58286-56-9 Formula: C17H16O6 Molecular Weight: 316.31◐ .Made to order · 8–12 wks Item #: O276235View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- methyl 2-[(1S,3R)-9-hydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetate
- SMILES
- CC1C2=C(CC(O1)CC(=O)OC)C(=O)C3=C(C2=O)C(=CC=C3)O
- InChIKey
- FMEUWIKCSICJBO-DTWKUNHWSA-N
- InChI
- 1S/C17H16O6/c1-8-14-11(6-9(23-8)7-13(19)22-2)16(20)10-4-3-5-12(18)15(10)17(14)21/h3-5,8-9,18H,6-7H2,1-2H3/t8-,9+/m0/s1
- Synonyms
- Methyl2-[(1S,3R)-9-hydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetate
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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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