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
- TrifluperidolCAS: 749-13-3 Formula: C22H23F4NO2 Molecular Weight: 409.4◐ Made to order · 8–12 wks Item #: T667824View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-(4-fluorophenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one
- SMILES
- C1CN(CCC1(C2=CC(=CC=C2)C(F)(F)F)O)CCCC(=O)C3=CC=C(C=C3)F
- InChIKey
- GPMXUUPHFNMNDH-UHFFFAOYSA-N
- InChI
- 1S/C22H23F4NO2/c23-19-8-6-16(7-9-19)20(28)5-2-12-27-13-10-21(29,11-14-27)17-3-1-4-18(15-17)22(24,25)26/h1,3-4,6-9,15,29H,2,5,10-14H2
- Synonyms
- Trifluperidol|Triperidol|Trisedil|Psychoperidol|Flumoperone|Psicoperidol|Trisedyl|Psicoperidol-R|Trifluperidolo|R-249...
- UR-144 N-5-hydroxypentylCAS: 895155-95-0 EC Number: 806-131-7 PubChem CID: 11515395 Formula: C21H29NO2 Molecular Weight: 327.5◐ Made to order · 8–12 wks Item #: U669149View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [1-(5-hydroxypentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
- SMILES
- CC1(C(C1(C)C)C(=O)C2=CN(C3=CC=CC=C32)CCCCCO)C
- InChIKey
- AFWBYMXUEMOBRP-UHFFFAOYSA-N
- InChI
- 1S/C21H29NO2/c1-20(2)19(21(20,3)4)18(24)16-14-22(12-8-5-9-13-23)17-11-7-6-10-15(16)17/h6-7,10-11,14,19,23H,5,8-9,12-13H2,1-4H3
- Synonyms
- UR-144 N-5-hydroxypentyl|UR-144 N-(5-Hydroxypentyl)|5-Hydroxy-UR-144|UR-144 N-(5-hydroxypentyl)metabolite|[1-(5-hydro...
- Trimethaphan◐ Made to order · 8–12 wks Item #: T667872View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3,5-dibenzyl-8-thionia-3,5-diazatricyclo[6.3.0.02,6]undecan-4-one
- SMILES
- C1CC2C3C(C[S+]2C1)N(C(=O)N3CC4=CC=CC=C4)CC5=CC=CC=C5
- InChIKey
- CHQOEHPMXSHGCL-UHFFFAOYSA-N
- InChI
- 1S/C22H25N2OS/c25-22-23(14-17-8-3-1-4-9-17)19-16-26-13-7-12-20(26)21(19)24(22)15-18-10-5-2-6-11-18/h1-6,8-11,19-21H,7,12-16H2/q+1
- Synonyms
- TRIMETHAPHAN|Trimetaphan|Thimethaphan|Trimetaphanum|Trimethaphan ion|Trimethaphan cation|1,3-dibenzyl-2-oxodecahydrot...
- TrospiumCAS: 47608-32-2 Formula: C25H30NO3⁺ Molecular Weight: 392.5◐ Made to order · 8–12 wks Item #: T668904View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [(1R,5S)-spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-yl] 2-hydroxy-2,2-diphenylacetate
- SMILES
- C1CC[N+]2(C1)C3CCC2CC(C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O
- InChIKey
- OYYDSUSKLWTMMQ-AIZNXBIQSA-N
- InChI
- show more
- Synonyms
- Trospium|Trospium cation|Trospium ion|3alpha-Hydroxyspiro(1alphah,5alphah-nortropane-8,1'-pyrrolidinium) benzilate|[(...
- TridihexethylCAS: 60-49-1 Formula: C21H36NO⁺ Molecular Weight: 318.5◐ Made to order · 8–12 wks Item #: T667866View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (3-cyclohexyl-3-hydroxy-3-phenylpropyl)-triethylazanium
- SMILES
- CC[N+](CC)(CC)CCC(C1CCCCC1)(C2=CC=CC=C2)O
- InChIKey
- NPRHVSBSZMAEIN-UHFFFAOYSA-N
- InChI
- 1S/C21H36NO/c1-4-22(5-2,6-3)18-17-21(23,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7,9-10,13-14,20,23H,4-6,8,11-12,15-18H2,1-3H3/q+1
- Synonyms
- Tridihexethyl|Propethonum|Tridihexethyl ion|Tridihexethyl cation|(3-cyclohexyl-3-hydroxy-3-phenylpropyl)-triethylazan...
- Trans-4-{4-[7-Amino-2-(1,2,3-Benzothiadiazol-7-Yl)-3-Chlorofuro[2,3-C]pyridin-4-Yl]-1h-Pyrazol-1-Yl}cyclohexanol◐ Made to order · 8–12 wks Item #: T669279View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)-3-chlorofuro[2,3-c]pyridin-4-yl]pyrazol-1-yl]cyclohexan-1-ol
- SMILES
- C1CC(CCC1N2C=C(C=N2)C3=CN=C(C4=C3C(=C(O4)C5=C6C(=CC=C5)N=NS6)Cl)N)O
- InChIKey
- IXXBWYJJOYSCNJ-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- Trans-4-{4-[7-Amino-2-(1,2,3-Benzothiadiazol-7-Yl)-3-Chlorofuro[2,3-C]pyridin-4-Yl]-1h-Pyrazol-1-Yl}cyclohexanol|TAK1...
- Turosteride◐ Made to order · 8–12 wks Item #: T667937View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CC(C)NC(=O)N(C(C)C)C(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(=O)N4C)C)C
- InChIKey
- WMPQMBUXZHMEFZ-YJPJVVPASA-N
- InChI
- show more
- Synonyms
- Turosteride|Turosteride [INN]|FCE 26073|1,3-Diisopropyl-1-((4-methyl-3-oxo-4-aza-5alpha-androstan-17beta-yl)carbonyl)...
- (-)-Vesamicol (AH5183)CAS: 112709-59-8 Formula: C17H25NO Molecular Weight: 259.39Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥95%◐ Made to order · 8–12 wks Item #: V668367View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (1R,2R)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol
- SMILES
- C1CCC(C(C1)N2CCC(CC2)C3=CC=CC=C3)O
- InChIKey
- YSSBJODGIYRAMI-IAGOWNOFSA-N
- InChI
- 1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2/t16-,17-/m1/s1
- Synonyms
- vesamicol|(-)-Vesamicol|Vesamicol, (+/-)-|(1R,2R)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol|(1R,2R)-2-(4-Phenyl-1-pip...
- [(5-Chloro-pyridin-2-ylamino)-phosphono-methyl]-phosphonic acidCAS: 70010-82-1 Formula: C6H9ClN2O6P2 Molecular Weight: 302.54◐ Made to order · 8–12 wks Item #: C668268View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [[(5-chloropyridin-2-yl)amino]-phosphonomethyl]phosphonic acid
- SMILES
- C1=CC(=NC=C1Cl)NC(P(=O)(O)O)P(=O)(O)O
- InChIKey
- BNMYZGAZFGNKTH-UHFFFAOYSA-N
- InChI
- 1S/C6H9ClN2O6P2/c7-4-1-2-5(8-3-4)9-6(16(10,11)12)17(13,14)15/h1-3,6H,(H,8,9)(H2,10,11,12)(H2,13,14,15)
- Synonyms
- [(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO-METHYL]-PHOSPHONIC ACID|[{(5-CHLORO-2-PYRIDINYL)AMINO} METHYLENE]-1,1-BISPHOS...
- [(1S)-1-amino-3-methylbutyl]phosphonic acid◐ Made to order · 8–12 wks Item #: S668647View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [(1S)-1-amino-3-methylbutyl]phosphonic acid
- SMILES
- CC(C)CC(N)P(=O)(O)O
- InChIKey
- HGCAUCAWEADMPM-YFKPBYRVSA-N
- InChI
- 1S/C5H14NO3P/c1-4(2)3-5(6)10(7,8)9/h4-5H,3,6H2,1-2H3,(H2,7,8,9)/t5-/m0/s1
- Synonyms
- [(1S)-1-amino-3-methylbutyl]phosphonic acid|Phosphonic acid,P-[(1S)-1-amino-3-methylbutyl]-|(S)-1-PHOSPHONO-3-METHYL-...
- Xestoquinone◐ Made to order · 8–12 wks Item #: X668038View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (1S)-1-methyl-14-oxapentacyclo[11.6.1.02,11.04,9.016,20]icosa-2(11),3,6,9,13(20),15-hexaene-5,8,12-trione
- SMILES
- CC12CCCC3=COC(=C31)C(=O)C4=C2C=C5C(=O)C=CC(=O)C5=C4
- InChIKey
- HDONDRKCXFRHQQ-FQEVSTJZSA-N
- InChI
- 1S/C20H14O4/c1-20-6-2-3-10-9-24-19(17(10)20)18(23)13-7-11-12(8-14(13)20)16(22)5-4-15(11)21/h4-5,7-9H,2-3,6H2,1H3/t20-/m0/s1
- Synonyms
- Xestoquinone|(+)-Xestoquinone|(S)-12b-Methyl-2,3-dihydro-1H-tetrapheno[5,4-bc]furan-6,8,11(12bH)-trione|1H-Benzo(6,7)...
- ZolasartanCAS: 145781-32-4 Formula: C24H20BrClN6O3 Molecular Weight: 555.8◐ Made to order · 8–12 wks Item #: Z667961View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-[[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-5-yl]methyl]-2-butyl-5-chloroimidazole-4-carboxylic acid
- SMILES
- CCCCC1=NC(=C(N1CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C5=NNN=N5)C(=O)O)Cl
- InChIKey
- FIKYECRHLXONOX-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- Zolasartan|GR-117289|GR 117289C|GR-117289C|1-((3-Bromo-2-(o-1H-tetrazol-5-ylphenyl)-5-benzofuranyl)methyl)-2-butyl-4-...
![Trans-4-{4-[7-Amino-2-(1,2,3-Benzothiadiazol-7-Yl)-3-Chlorofuro[2,3-C]pyridin-4-Yl]-1h-Pyrazol-1-Yl}cyclohexanol - CAS No(1326712-16-6) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/T/6/T669279.jpg)
![[(5-Chloro-pyridin-2-ylamino)-phosphono-methyl]-phosphonic acid - CAS No(70010-82-1) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/C/6/C668268.jpg)
![[(1S)-1-amino-3-methylbutyl]phosphonic acid - CAS No(88081-76-9) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/S/6/S668647.jpg)
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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.
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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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