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
24,639Navigate 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
- 6-phenethylsulfanyl-7H-purin-2-amineCAS: 92025-69-9 Formula: C13H13N5S Molecular Weight: 271.34◐ Made to order · 8–12 wks Item #: P668583View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 6-(2-phenylethylsulfanyl)-7H-purin-2-amine
- SMILES
- C1=CC=C(C=C1)CCSC2=NC(=NC3=C2NC=N3)N
- InChIKey
- PAAAKNYXXIVNCJ-UHFFFAOYSA-N
- InChI
- 1S/C13H13N5S/c14-13-17-11-10(15-8-16-11)12(18-13)19-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H3,14,15,16,17,18)
- Synonyms
- 6-phenethylsulfanyl-7H-purin-2-amine|6-(Phenethylthio)-7H-purin-2-amine|6-(2-Phenylethylsulfanyl)-7~{h}-Purin-2-Amine...
- 6-ethyl-2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile◐ Made to order · 8–12 wks Item #: E668350View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 6-ethyl-2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
- SMILES
- CCC1=C(N=C2C(=C(NN2C1=O)C)C#N)C
- InChIKey
- FRWRGOBAACVRCO-UHFFFAOYSA-N
- InChI
- 1S/C11H12N4O/c1-4-8-6(2)13-10-9(5-12)7(3)14-15(10)11(8)16/h14H,4H2,1-3H3
- Synonyms
- 6-ethyl-2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile|6-Ethyl-2,5-dimethyl-7-oxo-4,7-dihydropyrazolo...
- 6-nitro-2-[3-(6-nitro-1H-benzimidazol-2-yl)propyl]-1H-benzimidazoleCAS: 51877-67-9 Formula: C17H14N6O4 Molecular Weight: 366.3◐ Made to order · 8–12 wks Item #: N668806View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 6-nitro-2-[3-(6-nitro-1H-benzimidazol-2-yl)propyl]-1H-benzimidazole
- SMILES
- C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)CCCC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]
- InChIKey
- HIJXFOFEBGDCDQ-UHFFFAOYSA-N
- InChI
- 1S/C17H14N6O4/c24-22(25)10-4-6-12-14(8-10)20-16(18-12)2-1-3-17-19-13-7-5-11(23(26)27)9-15(13)21-17/h4-9H,1-3H2,(H,18,20)(H,19,21)
- Synonyms
- BNBI|1,3-bis(5-nitro-1h-benzo[d]imidazol-2-yl)propane|6-nitro-2-[3-(6-nitro-1H-benzimidazol-2-yl)propyl]-1H-benzimida...
- 7-(benzyloxy)-5-hydroxy-2-phenyl-4H-chromen-4-one◐ Made to order · 8–12 wks Item #: B668936View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-hydroxy-2-phenyl-7-phenylmethoxychromen-4-one
- SMILES
- C1=CC=C(C=C1)COC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=CC=C4)O
- InChIKey
- HIYMWHBMOOSAEF-UHFFFAOYSA-N
- InChI
- 1S/C22H16O4/c23-18-11-17(25-14-15-7-3-1-4-8-15)12-21-22(18)19(24)13-20(26-21)16-9-5-2-6-10-16/h1-13,23H,14H2
- Synonyms
- 7-(benzyloxy)-5-hydroxy-2-phenyl-4H-chromen-4-one|5-hydroxy-2-phenyl-7-phenylmethoxychromen-4-one|4H-1-Benzopyran-4-o...
- 7-(4-hydroxy-2-oxo-2H-chromen-3-yl)-6H,7H-chromeno[4,3-b]chromen-6-oneFormula: C25H14O6 Molecular Weight: 410.4◐ Made to order · 8–12 wks Item #: H669270View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 7-(4-hydroxy-2-oxochromen-3-yl)-7H-chromeno[3,2-c]chromen-6-one
- SMILES
- C1=CC=C2C(=C1)C(C3=C(O2)C4=CC=CC=C4OC3=O)C5=C(C6=CC=CC=C6OC5=O)O
- InChIKey
- OALUGYLIPAUKCN-UHFFFAOYSA-N
- InChI
- 1S/C25H14O6/c26-22-14-8-2-5-11-17(14)30-24(27)20(22)19-13-7-1-4-10-16(13)29-23-15-9-3-6-12-18(15)31-25(28)21(19)23/h1-12,19,26H
- Synonyms
- 7-(4-hydroxy-2-oxo-2H-chromen-3-yl)-6H,7H-chromeno[4,3-b]chromen-6-one|7-(4-Hydroxy-2-oxo-2H-chromen-3-yl)-7H-chromen...
- 7-(Benzyloxy)-2,3-dihydrocyclopenta[c]chromen-4(1H)-oneCAS: 304675-00-1 Formula: C19H16O3 Molecular Weight: 292.3◐ Made to order · 8–12 wks Item #: B668308View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 7-phenylmethoxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
- SMILES
- C1CC2=C(C1)C(=O)OC3=C2C=CC(=C3)OCC4=CC=CC=C4
- InChIKey
- XQVDQBUDJDSCEP-UHFFFAOYSA-N
- InChI
- 1S/C19H16O3/c20-19-17-8-4-7-15(17)16-10-9-14(11-18(16)22-19)21-12-13-5-2-1-3-6-13/h1-3,5-6,9-11H,4,7-8,12H2
- Synonyms
- 7-(Benzyloxy)-2,3-dihydrocyclopenta[c]chromen-4(1H)-one|7-(benzyloxy)-1H,2H,3H,4H-cyclopenta[c]chromen-4-one|1H-Cyclo...
- 7-(Pyridin-3-yl)-1,7-diazaspiro[4.4]nonane, Neuronal acetylcholine receptor; alpha4/beta2 antagonist◐ Made to order · 8–12 wks Item #: P669075View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 7-pyridin-3-yl-1,7-diazaspiro[4.4]nonane
- SMILES
- C1CC2(CCN(C2)C3=CN=CC=C3)NC1
- InChIKey
- NXIPMBQVNTWEEX-UHFFFAOYSA-N
- InChI
- 1S/C12H17N3/c1-3-11(9-13-6-1)15-8-5-12(10-15)4-2-7-14-12/h1,3,6,9,14H,2,4-5,7-8,10H2
- Synonyms
- TC-2216|7-(pyridin-3-yl)-1,7-diazaspiro[4.4]nonane|7-(3-Pyridyl)-1,7-diazaspiro(4.4)nonane|7-(3-pyridinyl)-1,7-diazas...
- 7-(benzyloxy)-2,3-dihydro-4H-chromen-4-one◐ Made to order · 8–12 wks Item #: B668869View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 7-phenylmethoxy-2,3-dihydrochromen-4-one
- SMILES
- C1COC2=C(C1=O)C=CC(=C2)OCC3=CC=CC=C3
- InChIKey
- MLQFOEOUNIRULR-UHFFFAOYSA-N
- InChI
- 1S/C16H14O3/c17-15-8-9-18-16-10-13(6-7-14(15)16)19-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2
- Synonyms
- 7-(benzyloxy)-2,3-dihydro-4H-chromen-4-one|7-(benzyloxy)-3,4-dihydro-2H-1-benzopyran-4-one|7-(benzyloxy)chroman-4-one...
- 7-Acetoxycoumarin◐ Made to order · 8–12 wks Item #: A668579View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2-oxochromen-7-yl) acetate
- SMILES
- CC(=O)OC1=CC2=C(C=C1)C=CC(=O)O2
- InChIKey
- MGZOXZPZHVOXQB-UHFFFAOYSA-N
- InChI
- 1S/C11H8O4/c1-7(12)14-9-4-2-8-3-5-11(13)15-10(8)6-9/h2-6H,1H3
- Synonyms
- 7-acetoxycoumarin|(2-oxochromen-7-yl) acetate|2H-1-Benzopyran-2-one, 7-(acetyloxy)-|2-oxo-2H-chromen-7-yl acetate|7-(...
- 7-Amino-6-methoxy-2-methyl-5,8-quinolinedioneCAS: 61895-38-3 Formula: C11H10N2O3 Molecular Weight: 218.21◐ Made to order · 8–12 wks Item #: A668220View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 7-amino-6-methoxy-2-methylquinoline-5,8-dione
- SMILES
- CC1=NC2=C(C=C1)C(=O)C(=C(C2=O)N)OC
- InChIKey
- FKAAKWCKLUDXOB-UHFFFAOYSA-N
- InChI
- 1S/C11H10N2O3/c1-5-3-4-6-8(13-5)10(15)7(12)11(16-2)9(6)14/h3-4H,12H2,1-2H3
- Synonyms
- 7-Amino-6-methoxy-2-methyl-5,8-quinolinedione|7-amino-6-methoxy-2-methylquinoline-5,8-dione|5, 7-amino-6-methoxy-2-me...
- 7-(benzyloxy)-2H-chromen-2-oneCAS: 31005-04-6 Formula: C16H12O3 Molecular Weight: 252.26◐ Made to order · 8–12 wks Item #: B668575View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 7-phenylmethoxychromen-2-one
- SMILES
- C1=CC=C(C=C1)COC2=CC3=C(C=C2)C=CC(=O)O3
- InChIKey
- QDLFCBKKECTJSK-UHFFFAOYSA-N
- InChI
- 1S/C16H12O3/c17-16-9-7-13-6-8-14(10-15(13)19-16)18-11-12-4-2-1-3-5-12/h1-10H,11H2
- Synonyms
- 7-(benzyloxy)-2H-chromen-2-one|7-BENZYLOXYCOUMARIN|2H-1-Benzopyran-2-one, 7-(phenylmethoxy)-|7-benzyloxychromen-2-one...
- 7-Aminoquinoline-5,8-dioneCAS: 64636-91-5 Formula: C9H6N2O2 Molecular Weight: 174.16◐ Made to order · 8–12 wks Item #: A668196View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 7-aminoquinoline-5,8-dione
- SMILES
- C1=CC2=C(C(=O)C(=CC2=O)N)N=C1
- InChIKey
- QHJBNEFEIDZZCN-UHFFFAOYSA-N
- InChI
- 1S/C9H6N2O2/c10-6-4-7(12)5-2-1-3-11-8(5)9(6)13/h1-4H,10H2
- Synonyms
- 7-aminoquinoline-5,8-dione|7-amino-5,8-quinoline-quinone
![6-ethyl-2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile - CAS No(799250-60-5) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/E/6/E668350.jpg)
![6-nitro-2-[3-(6-nitro-1H-benzimidazol-2-yl)propyl]-1H-benzimidazole - CAS No(51877-67-9) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/N/6/N668806.jpg)
![7-(4-hydroxy-2-oxo-2H-chromen-3-yl)-6H,7H-chromeno[4,3-b]chromen-6-one - CAS No(H669270) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/H/6/H669270.jpg)
![7-(Benzyloxy)-2,3-dihydrocyclopenta[c]chromen-4(1H)-one - CAS No(304675-00-1) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/B/6/B668308.jpg)
![7-(Pyridin-3-yl)-1,7-diazaspiro[4.4]nonane - CAS No(646055-67-6) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/P/6/P669075.jpg)
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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.
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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.
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