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
- isoPPADSFormula: C14H14N3O12PS2 Molecular Weight: 511.4◐ Made to order · 8–12 wks Item #: I668854View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[[4-formyl-5-hydroxy-6-methyl-3-(phosphonooxymethyl)pyridin-2-yl]diazenyl]benzene-1,4-disulfonic acid
- SMILES
- CC1=C(C(=C(C(=N1)N=NC2=C(C=CC(=C2)S(=O)(=O)O)S(=O)(=O)O)COP(=O)(O)O)C=O)O
- InChIKey
- XYBQYEJAMIDMPT-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- isoPPADS|pyridoxal-alpha5-phosphate-6-azophenyl-2'',5''-disulfonic acid|2-(4-Formyl-5-hydroxy-6-methyl-3-phosphonooxy...
- n,n'-1,2-Phenylenebis(n,4-dimethylbenzenesulfonamide)CAS: 29627-62-1 Formula: C22H24N2O4S2 Molecular Weight: 444.6◐ Made to order · 8–12 wks Item #: N668205View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N,4-dimethyl-N-[2-[methyl-(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
- SMILES
- CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2N(C)S(=O)(=O)C3=CC=C(C=C3)C
- InChIKey
- WOBGBOUAUABUFZ-UHFFFAOYSA-N
- InChI
- 1S/C22H24N2O4S2/c1-17-9-13-19(14-10-17)29(25,26)23(3)21-7-5-6-8-22(21)24(4)30(27,28)20-15-11-18(2)12-16-20/h5-16H,1-4H3
- Synonyms
- n,n'-1,2-phenylenebis(n,4-dimethylbenzenesulfonamide)|N,4-dimethyl-N-[2-[methyl-(4-methylphenyl)sulfonylamino]phenyl]...
- methyl {[4-(3-nitrophenyl)-2-oxo-2H-chromen-7-yl]oxy}acetate◐ Made to order · 8–12 wks Item #: M668597View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- methyl 2-[4-(3-nitrophenyl)-2-oxochromen-7-yl]oxyacetate
- SMILES
- COC(=O)COC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC(=CC=C3)[N+](=O)[O-]
- InChIKey
- XQGYZAXDYGLKFO-UHFFFAOYSA-N
- InChI
- 1S/C18H13NO7/c1-24-18(21)10-25-13-5-6-14-15(9-17(20)26-16(14)8-13)11-3-2-4-12(7-11)19(22)23/h2-9H,10H2,1H3
- Synonyms
- methyl {[4-(3-nitrophenyl)-2-oxo-2H-chromen-7-yl]oxy}acetate|methyl 2-{[4-(3-nitrophenyl)-2-oxo-2H-chromen-7-yl]oxy}a...
- methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylateCAS: 890006-20-9 EC Number: 886-291-2 PubChem CID: 1265037 Formula: C13H11N3O2 Molecular Weight: 241.24◐ Made to order · 8–12 wks Item #: M668618View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate
- SMILES
- COC(=O)C1=CC(=NN1)C2=CNC3=CC=CC=C32
- InChIKey
- OKFMGDVQFVYLLV-UHFFFAOYSA-N
- InChI
- 1S/C13H11N3O2/c1-18-13(17)12-6-11(15-16-12)9-7-14-10-5-3-2-4-8(9)10/h2-7,14H,1H3,(H,15,16)
- Synonyms
- methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate|methyl (5Z)-5-indol-3-ylidene-1,2-dihydropyrazole-3-carboxylate|SD...
- ethyl 4-(4-chlorophenyl)-2-methyl-5-oxo-4a,5-dihydro-4H-indeno[1,2-b]pyridine-3-carboxylate◐ Made to order · 8–12 wks Item #: E668749View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- ethyl 4-(4-chlorophenyl)-2-methyl-5-oxo-4,4a-dihydroindeno[1,2-b]pyridine-3-carboxylate
- SMILES
- CCOC(=O)C1=C(N=C2C(C1C3=CC=C(C=C3)Cl)C(=O)C4=CC=CC=C42)C
- InChIKey
- IPQWVKCFKOWFSG-UHFFFAOYSA-N
- InChI
- 1S/C22H18ClNO3/c1-3-27-22(26)17-12(2)24-20-15-6-4-5-7-16(15)21(25)19(20)18(17)13-8-10-14(23)11-9-13/h4-11,18-19H,3H2,1-2H3
- Synonyms
- ethyl 4-(4-chlorophenyl)-2-methyl-5-oxo-4a,5-dihydro-4H-indeno[1,2-b]pyridine-3-carboxylate|BIM-0006755.P001|ETHYL 4-...
- ethyl 2-ethoxy-5-hydroxy-1H-benzo[g]indole-3-carboxylateCAS: 312748-98-4 Formula: C17H17NO4 Molecular Weight: 299.32◐ Made to order · 8–12 wks Item #: E668514View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- ethyl 2-ethoxy-5-hydroxy-1H-benzo[g]indole-3-carboxylate
- SMILES
- CCOC1=C(C2=C(N1)C3=CC=CC=C3C(=C2)O)C(=O)OCC
- InChIKey
- NGUJCLQFUIRSTR-UHFFFAOYSA-N
- InChI
- 1S/C17H17NO4/c1-3-21-16-14(17(20)22-4-2)12-9-13(19)10-7-5-6-8-11(10)15(12)18-16/h5-9,18-19H,3-4H2,1-2H3
- Synonyms
- ethyl 2-ethoxy-5-hydroxy-1H-benzo[g]indole-3-carboxylate|2-ETHOXY-5-HYDROXY-1H-BENZO[G]INDOLE-3-CARBOXYLIC ACID ETHYL...
- ethyl 1-(4-aminophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate◐ Made to order · 8–12 wks Item #: E668359View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- ethyl 1-(4-aminophenyl)-3,5-dimethylpyrazole-4-carboxylate
- SMILES
- CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)N)C
- InChIKey
- FIEYZIRYXYDMSK-UHFFFAOYSA-N
- InChI
- 1S/C14H17N3O2/c1-4-19-14(18)13-9(2)16-17(10(13)3)12-7-5-11(15)6-8-12/h5-8H,4,15H2,1-3H3
- Synonyms
- ethyl 1-(4-aminophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate|ethyl 1-(4-aminophenyl)-3,5-dimethylpyrazole-4-carboxy...
- ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyl-1H-1,2,3-triazole-4-carboxylate◐ Made to order · 8–12 wks Item #: E668392View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyltriazole-4-carboxylate
- SMILES
- CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)C3=CC=CC=C3
- InChIKey
- XZSMHRAGXUUTQP-UHFFFAOYSA-N
- InChI
- 1S/C13H12N6O3/c1-2-21-13(20)9-10(8-6-4-3-5-7-8)19(18-15-9)12-11(14)16-22-17-12/h3-7H,2H2,1H3,(H2,14,16)
- Synonyms
- ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyl-1H-1,2,3-triazole-4-carboxylate|ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl...
- s-Ethylisothiourea◐ Made to order · 8–12 wks Item #: S667817View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- ethyl carbamimidothioate
- SMILES
- CCSC(=N)N
- InChIKey
- VFIZBHJTOHUOEK-UHFFFAOYSA-N
- InChI
- 1S/C3H8N2S/c1-2-6-3(4)5/h2H2,1H3,(H3,4,5)
- Synonyms
- s-ethylisothiourea|etiron|2-Ethyl-2-thiopseudourea|ethyron|ethyl carbamimidothioate|ETHYLISOTHIOUREA|Carbamimidothioi...
- trans-4-({[(4-Methylphenyl)sulfonyl]amino}methyl)cyclohexanecarboxylic acidFormula: C15H21NO4S Molecular Weight: 311.4◐ Made to order · 8–12 wks Item #: T668632View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
- SMILES
- CC1=CC=C(C=C1)S(=O)(=O)NCC2CCC(CC2)C(=O)O
- InChIKey
- IQPUQDZEJRQLJP-UHFFFAOYSA-N
- InChI
- 1S/C15H21NO4S/c1-11-2-8-14(9-3-11)21(19,20)16-10-12-4-6-13(7-5-12)15(17)18/h2-3,8-9,12-13,16H,4-7,10H2,1H3,(H,17,18)
- Synonyms
- trans-4-({[(4-methylphenyl)sulfonyl]amino}methyl)cyclohexanecarboxylic acid|4-((4-methylphenylsulfonamido)methyl)cycl...
- tert-butyl N-[(2S)-4-methyl-1-oxopentan-2-yl]carbamate◐ Made to order · 8–12 wks Item #: T668013View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- tert-butyl N-[(2S)-4-methyl-1-oxopentan-2-yl]carbamate
- SMILES
- CC(C)CC(C=O)NC(=O)OC(C)(C)C
- InChIKey
- RQSBRFZHUKLKNO-VIFPVBQESA-N
- InChI
- 1S/C11H21NO3/c1-8(2)6-9(7-13)12-10(14)15-11(3,4)5/h7-9H,6H2,1-5H3,(H,12,14)/t9-/m0/s1
- Synonyms
- TERT-BUTYL (S)1-FORMYL-3-METHYLBUTYLCARBAMATE|tert-butyl N-[(2S)-4-methyl-1-oxopentan-2-yl]carbamate|Boc-Leucinal|(S)...
- p-IodoclonidineFormula: C9H8Cl2IN3 Molecular Weight: 355.99◐ Made to order · 8–12 wks Item #: P667816View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-(2,6-dichloro-4-iodophenyl)-4,5-dihydro-1H-imidazol-2-amine
- SMILES
- C1CN=C(N1)NC2=C(C=C(C=C2Cl)I)Cl
- InChIKey
- HSRPTPAPMBHRRJ-UHFFFAOYSA-N
- InChI
- 1S/C9H8Cl2IN3/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9/h3-4H,1-2H2,(H2,13,14,15)
- Synonyms
- p-Iodoclonidine|4-iodoclonidine|1H-Imidazol-2-amine, N-(2,6-dichloro-4-iodophenyl)-4,5-dihydro-|Lopac-I-114|n-(2,6-di...
![methyl {[4-(3-nitrophenyl)-2-oxo-2H-chromen-7-yl]oxy}acetate - CAS No(300839-85-4) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/M/6/M668597.jpg)
![ethyl 4-(4-chlorophenyl)-2-methyl-5-oxo-4a,5-dihydro-4H-indeno[1,2-b]pyridine-3-carboxylate - CAS No(5656-39-3) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/E/6/E668749.jpg)
![ethyl 2-ethoxy-5-hydroxy-1H-benzo[g]indole-3-carboxylate - CAS No(312748-98-4) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/E/6/E668514.jpg)
![trans-4-({[(4-Methylphenyl)sulfonyl]amino}methyl)cyclohexanecarboxylic acid - CAS No(T668632) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/T/6/T668632.jpg)
![tert-butyl N-[(2S)-4-methyl-1-oxopentan-2-yl]carbamate - CAS No(58521-45-2) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/T/6/T668013.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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