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
24,643Navigate 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
2,814PROTAC 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
102,640Explore 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)
19,704Find 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)
8,783Shop 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
- [3-[3-(2H-Benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropyl]-hydroxypoly(oxo-1,2-ethanediyl)CAS: 104810-48-2 EC Number: 600-603-4 Formula: C19H21N3O3.(C2H4O)n=6-7 Molecular Weight: 637 (monomer), 975 (dimer)● In Stock — US Item #: H302135View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- methyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate
- SMILES
- CC(C)(C)C1=C(C(=CC(=C1)CCC(=O)OC)N2N=C3C=CC=CC3=N2)O
- InChIKey
- UJRDRFZCRQNLJM-UHFFFAOYSA-N
- InChI
- 1S/C20H23N3O3/c1-20(2,3)14-11-13(9-10-18(24)26-4)12-17(19(14)25)23-21-15-7-5-6-8-16(15)22-23/h5-8,11-12,25H,9-10H2,1-4H3
- Synonyms
- Tinuvin 1130|84268-33-7|104810-48-2|Benzenepropanoic acid, 3-(2H-benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxy-,...
- [2-[2-(Fmoc-amino)ethoxy]ethoxy]acetic acidCAS: 166108-71-0 Formula: C21H23NO6 Molecular Weight: 385.41● In Stock — US Item #: F123191View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]acetic acid
- SMILES
- C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCOCCOCC(=O)O
- InChIKey
- XQPYRJIMPDBGRW-UHFFFAOYSA-N
- InChI
- 1S/C21H23NO6/c23-20(24)14-27-12-11-26-10-9-22-21(25)28-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,19H,9-14H2,(H,22,25)(H,23,24)
- Synonyms
- 3,6,11-TRIOXA-9-AZADODECANOIC ACID, 12-(9H-FLUOREN-9-YL)-10-OXO- | Fmoc-NH-PEG2-CH2COOH | [2-[2-(Fmoc-amino)ethoxy]et...
- PKSI-527◐ .Made to order · 8–12 wks Item #: P275072View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[4-[[(2S)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-phenylpropanoyl]amino]phenyl]acetic acid;hydrochloride
- SMILES
- C1CC(CCC1CN)C(=O)NC(CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)CC(=O)O.Cl
- InChIKey
- NAXNMKUKSBHHMP-QCXPCDNBSA-N
- InChI
- show more
- Synonyms
- DTXSID00926216 | Benzeneacetic acid, 4-((2-(((4-(aminomethyl)cyclohexyl)carbonyl)amino)-1-oxo-3-phenylpropyl)amino)-,...
- PNU 177864 hydrochloride● In Stock — US Item #: P287274View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[4-[2-(propylamino)ethyl]phenyl]-4-(trifluoromethoxy)benzenesulfonamide;hydrochloride
- SMILES
- CCCNCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F.Cl
- InChIKey
- UOMDLHQTLPWCCE-UHFFFAOYSA-N
- InChI
- 1S/C18H21F3N2O3S.ClH/c1-2-12-22-13-11-14-3-5-15(6-4-14)23-27(24,25)17-9-7-16(8-10-17)26-18(19,20)21;/h3-10,22-23H,2,11-13H2,1H3;1H
- Synonyms
- FH43729Z9T | UNII-FH43729Z9T | 1783978-03-9 | Benzenesulfonamide, N-(4-(2-(propylamino)ethyl)phenyl)-4-(trifluorometh...
- PNU 282987, Agonist of nicotinic acetylcholine receptor α7 subunitMoligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%(HPLC)● In Stock — US Item #: P288832View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-chlorobenzamide
- SMILES
- C1CN2CCC1C(C2)NC(=O)C3=CC=C(C=C3)Cl
- InChIKey
- WECKJONDRAUFDD-ZDUSSCGKSA-N
- InChI
- 1S/C14H17ClN2O/c15-12-3-1-11(2-4-12)14(18)16-13-9-17-7-5-10(13)6-8-17/h1-4,10,13H,5-9H2,(H,16,18)/t13-/m0/s1
- Synonyms
- AKOS016339643 | PNU-282987 (free base) | PNU282987.HCl | EX-A3238 | PNU282987 | PNU-282987 | HMS3677E04 | MFCD0870311...
- PNU 22394 hydrochloride◐ .Made to order · 8–12 wks Item #: P287487View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 6-methyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indole;hydrochloride
- SMILES
- CN1C2=C(CCNCC2)C3=CC=CC=C31.Cl
- InChIKey
- SAIGGEUWSYESTR-UHFFFAOYSA-N
- InChI
- 1S/C13H16N2.ClH/c1-15-12-5-3-2-4-10(12)11-6-8-14-9-7-13(11)15;/h2-5,14H,6-9H2,1H3;1H
- Synonyms
- 1,2,3,4,5,6-HEXAHYDRO-6-METHYL-AZEPINO[4,5-B]INDOLE HYDROCHLORIDE | 6-methyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indo...
- PNU 282987 HCl● In Stock — US Item #: P275099View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-chlorobenzamide;hydrochloride
- SMILES
- C1CN2CCC1C(C2)NC(=O)C3=CC=C(C=C3)Cl.Cl
- InChIKey
- HSEQUIRZHDYOIX-ZOWNYOTGSA-N
- InChI
- 1S/C14H17ClN2O.ClH/c15-12-3-1-11(2-4-12)14(18)16-13-9-17-7-5-10(13)6-8-17;/h1-4,10,13H,5-9H2,(H,16,18);1H/t13-;/m0./s1
- Synonyms
- Benzamide, N-(3R)-1-azabicyclo(2.2.2)oct-3-yl-4-chloro-, hydrochloride (1:1) | SY059863 | 810P1694K2 | BBL028494 | DT...
- [5′,5′′-2H2]2′-deoxyuridineCAS: 478511-30-7 Formula: C9H10D2N2O5 Molecular Weight: 230.22◐ .Made to order · 8–12 wks Item #: H355991View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-[(2R,4S,5R)-5-[dideuterio(hydroxy)methyl]-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
- SMILES
- C1C(C(OC1N2C=CC(=O)NC2=O)CO)O
- InChIKey
- MXHRCPNRJAMMIM-YNJVSGIFSA-N
- InChI
- 1S/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6+,8+/m0/s1/i4D2
- UNC0646◐ .Made to order · 8–12 wks Item #: U166948View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-(1-cyclohexylpiperidin-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)-2-(4-propan-2-yl-1,4-diazepan-1-yl)quinazolin-4-amine
- SMILES
- CC(C)N1CCCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)NC4CCN(CC4)C5CCCCC5)OC)OCCCN6CCCCC6
- InChIKey
- OUKWLRHRXOPODD-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- Z56921447 | N-(1-cyclohexylpiperidin-4-yl)-6-methoxy-7-[3-(piperidin-1-yl)propoxy]-2-[4-(propan-2-yl)-1,4-diazepan-1-...
- URB602● In Stock — US Item #: U134214View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- cyclohexyl N-(3-phenylphenyl)carbamate
- SMILES
- C1CCC(CC1)OC(=O)NC2=CC=CC(=C2)C3=CC=CC=C3
- InChIKey
- HHVUFQYJOSFTEH-UHFFFAOYSA-N
- InChI
- 1S/C19H21NO2/c21-19(22-18-12-5-2-6-13-18)20-17-11-7-10-16(14-17)15-8-3-1-4-9-15/h1,3-4,7-11,14,18H,2,5-6,12-13H2,(H,20,21)
- Synonyms
- AM20060242 | HHVUFQYJOSFTEH-UHFFFAOYSA-N | B8371SFA9K | BDBM29337 | URB602, >=98% (HPLC) | Carbamic acid, N-(1,1'-bip...
- Gluconasturtiin potassium salt● In Stock — US Item #: P275958View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- potassium;[(E)-C-(2-phenylethyl)-N-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylcarbonimidoyl] sulfate
- SMILES
- C1=CC=C(C=C1)CCC(=NSC2C(C(C(C(O2)CO)O)O)O)OS(=O)(=O)[O-].[K+]
- InChIKey
- KNQJXSDRCFVICE-SWKZEUNZSA-M
- InChI
- show more
- Synonyms
- [(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl](1E)-3-phenyl-N-sulfooxypropanimidothioatepotassiumsalt...
- VER-155008● In Stock — US Item #: V166005View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[[(2R,3S,4R,5R)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethyl]benzonitrile
- SMILES
- C1=CC(=CC=C1COCC2C(C(C(O2)N3C4=NC=NC(=C4N=C3NCC5=CC(=C(C=C5)Cl)Cl)N)O)O)C#N
- InChIKey
- ZXGGCBQORXDVTE-UMCMBGNQSA-N
- InChI
- show more
- Synonyms
- 4-({[(2R,3S,4R,5R)-5-(6-amino-8-{[(3,4-dichlorophenyl)methyl]amino}-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}m...
![[3-[3-(2H-Benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropyl]-hydroxypoly(oxo-1,2-ethanediyl) - ≥98% CAS No(104810-48-2) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/H/3/H302135.png)
![[2-[2-(Fmoc-amino)ethoxy]ethoxy]acetic acid](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/F/1/F123191.png)
![[5′,5′′-2H2]2′-deoxyuridine](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/H/3/H355991.png)
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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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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.