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
24,642Navigate 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
102,634Explore 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)
19,701Find 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)
8,782Shop 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
- Dityrosine DihydrochlorideCAS: 980-21-2(free base) Formula: C₁₈H₂₂Cl₂N₂O₆ Molecular Weight: 433.28● In Stock — US Item #: D350290View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-amino-3-[3-[5-(2-amino-2-carboxyethyl)-2-hydroxyphenyl]-4-hydroxyphenyl]propanoic acid
- SMILES
- C1=CC(=C(C=C1CC(C(=O)O)N)C2=C(C=CC(=C2)CC(C(=O)O)N)O)O
- InChIKey
- OQALFHMKVSJFRR-UHFFFAOYSA-N
- InChI
- 1S/C18H20N2O6/c19-13(17(23)24)7-9-1-3-15(21)11(5-9)12-6-10(2-4-16(12)22)8-14(20)18(25)26/h1-6,13-14,21-22H,7-8,19-20H2,(H,23,24)(H,25,26)
- Synonyms
- o,o-Dityrosine HCl | 2-amino-3-[3-[5-(2-amino-3-hydroxy-3-oxopropyl)-2-hydroxyphenyl]-4-hydroxyphenyl]propanoic acid HCl
- Eugenol-d3CAS: 1335401-17-6 Formula: C10H9D3O2 Molecular Weight: 167.22◐ .Made to order · 8–12 wks Item #: E357558View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-prop-2-enyl-2-(trideuteriomethoxy)phenol
- SMILES
- COC1=C(C=CC(=C1)CC=C)O
- InChIKey
- RRAFCDWBNXTKKO-BMSJAHLVSA-N
- InChI
- 1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3/i2D3
- Synonyms
- 2-Methoxy-4-(2-propen-1-yl)phenol-d3
- N-Boc-6-bromohexylamine● In Stock — US Item #: T132242View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- tert-butyl N-(6-bromohexyl)carbamate
- SMILES
- CC(C)(C)OC(=O)NCCCCCCBr
- InChIKey
- NXQXVXILNVTMNA-UHFFFAOYSA-N
- InChI
- 1S/C11H22BrNO2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8-12/h4-9H2,1-3H3,(H,13,14)
- Synonyms
- 6-(Boc-amino)hexyl bromide | 6-(BOC-AMINO)-HEXYL BROMIDE | SY018081 | tert-Butyl N-(6-bromohexyl)carbamate | 6-(Boc-a...
- 5-Benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid, sodium saltSolid ≥95%● In Stock — US Item #: B304316View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- sodium;5-benzoyl-4-hydroxy-2-methoxybenzenesulfonate
- SMILES
- COC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)[O-].[Na+]
- InChIKey
- KJCLYACXIWMFCC-UHFFFAOYSA-M
- InChI
- 1S/C14H12O6S.Na/c1-20-12-8-11(15)10(7-13(12)21(17,18)19)14(16)9-5-3-2-4-6-9;/h2-8,15H,1H3,(H,17,18,19);/q;+1/p-1
- Synonyms
- Benzophenone-5|6628-37-1|Sulibenzone|2-Hydroxy-4-methoxybenzophenone-5-sulfonic acid sodium salt|Cyasorb UV 284|Uvist...
- N-Biotinyl-1,6-hexanediamineCAS: 65953-56-2 Formula: C16H30N4O2S Molecular Weight: 342.5● In Stock — US Item #: N304307View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-(6-aminohexyl)pentanamide
- SMILES
- C1C2C(C(S1)CCCCC(=O)NCCCCCCN)NC(=O)N2
- InChIKey
- QWVNTBHBRBLRRJ-YDHLFZDLSA-N
- InChI
- 1S/C16H30N4O2S/c17-9-5-1-2-6-10-18-14(21)8-4-3-7-13-15-12(11-23-13)19-16(22)20-15/h12-13,15H,1-11,17H2,(H,18,21)(H2,19,20,22)/t12-,13-,15-/m0/s1
- Synonyms
- MFCD09264744 | 5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-(6-aminohexyl)pentanamide | H10053 | ...
- AvasimibeCAS: 166518-60-1 Formula: C29H43NO4S Molecular Weight: 501.72● In Stock — US Item #: A129742View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [2,6-di(propan-2-yl)phenyl] N-[2-[2,4,6-tri(propan-2-yl)phenyl]acetyl]sulfamate
- SMILES
- CC(C)C1=C(C(=CC=C1)C(C)C)OS(=O)(=O)NC(=O)CC2=C(C=C(C=C2C(C)C)C(C)C)C(C)C
- InChIKey
- PTQXTEKSNBVPQJ-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- (6X,10S)-6-(6,10-Dihydroxyundecyl)-.beta.-resorcylic acid .mu.-lactone | AVASIMIBE [WHO-DD] | AVASIMIBE [INN] | CI101...
- Metamizole sodium hydrateSolid ≥98%● In Stock — US Item #: D136704View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- sodium;[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylamino]methanesulfonate
- SMILES
- CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)[O-].[Na+]
- InChIKey
- DJGAAPFSPWAYTJ-UHFFFAOYSA-M
- InChI
- 1S/C13H17N3O4S.Na/c1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11;/h4-8H,9H2,1-3H3,(H,18,19,20);/q;+1/p-1
- Synonyms
- Metamizole sodium [INN] | Sulpin | 68-89-3 (sodium) | Methylaminophenyldimethylpyrazolone methanesulfonate sodium | N...
- 5-Bromo-4-chloro-3-indolyl octanoateSolid ≥98%● In Stock — US Item #: B130022View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (5-bromo-4-chloro-1H-indol-3-yl) octanoate
- SMILES
- CCCCCCCC(=O)OC1=CNC2=C1C(=C(C=C2)Br)Cl
- InChIKey
- QTWMXGHFXBQNEJ-UHFFFAOYSA-N
- InChI
- 1S/C16H19BrClNO2/c1-2-3-4-5-6-7-14(20)21-13-10-19-12-9-8-11(17)16(18)15(12)13/h8-10,19H,2-7H2,1H3
- Synonyms
- B-7100 | 5-Bromo-4-chloro-3-indolyl octanoate | 5-Bromo-4-chloro-3-indolyl octanoate, >=98% | AC-37048 | Q27145352 | ...
- N-Boc-diethanolamineLiquid ≥97%● In Stock — US Item #: I165584View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- tert-butyl N,N-bis(2-hydroxyethyl)carbamate
- SMILES
- CC(C)(C)OC(=O)N(CCO)CCO
- InChIKey
- KMUNFRBJXIEULW-UHFFFAOYSA-N
- InChI
- 1S/C9H19NO4/c1-9(2,3)14-8(13)10(4-6-11)5-7-12/h11-12H,4-7H2,1-3H3
- Synonyms
- SY018071 | N-Boc-diethanolamine, >=98.0% (GC) | A920565 | Carbamic acid, bis(2-hydroxyethyl)-, 1,1-dimethylethyl este...
- Euscaphic acidCAS: 53155-25-2 Formula: C30H48O5 Molecular Weight: 488.70Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%● In Stock — US Item #: E303908View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1(C)O)C)C(=O)O
- InChIKey
- OXVUXGFZHDKYLS-QUFHAEKXSA-N
- InChI
- show more
- Synonyms
- CHEBI:67914 | NSC733507 | NSC-733507 | MS-29089 | (1S,2S,4AS,6AS,6AS,6BR,8AR,10S,11R,12AS,14BS)-1,2,6A,6B,9,9,12A-HEP...
- IOWH032, Cystic fibrosis transmembrane conductance regulator inhibitorCAS: 1191252-49-9 Formula: C22H15Br2N3O4 Molecular Weight: 545.18● In Stock — US Item #: I129648View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-(3,5-dibromo-4-hydroxyphenyl)-N-[(4-phenoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
- SMILES
- C1=CC=C(C=C1)OC2=CC=C(C=C2)CNC(=O)C3=NC(=NO3)C4=CC(=C(C(=C4)Br)O)Br
- InChIKey
- DSFNLJXHXBIKDS-UHFFFAOYSA-N
- InChI
- 1S/C22H15Br2N3O4/c23-17-10-14(11-18(24)19(17)28)20-26-22(31-27-20)21(29)25-12-13-6-8-16(9-7-13)30-15-4-2-1-3-5-15/h1-11,28H,12H2,(H,25,29)
- Synonyms
- LY-110,140 hydrochloride | Q27271180 | UNII-8Y3GDT6YWV | 3-(3,5-dibromo-4-hydroxyphenyl)-N-(4-phenoxybenzyl)-1,2,4-ox...
- Donitriptan monohydrochlorideCAS: 170911-68-9 Formula: C23H25N5O2 · HCl Molecular Weight: 439.94● In Stock — US Item #: D135564View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile;hydrochloride
- SMILES
- C1CN(CCN1C2=CC=C(C=C2)C#N)C(=O)COC3=CC4=C(C=C3)NC=C4CCN.Cl
- InChIKey
- ZXENQGQAPOYDOJ-UHFFFAOYSA-N
- InChI
- 1S/C23H25N5O2.ClH/c24-8-7-18-15-26-22-6-5-20(13-21(18)22)30-16-23(29)28-11-9-27(10-12-28)19-3-1-17(14-25)2-4-19;/h1-6,13,15,26H,7-12,16,24H2;1H
- Synonyms
- Donitriptan HCl | 1-[[[3-(2-Aminoethyl)-1H-indol-5-yl]oxy]acetyl]-4-(4-cyanophenyl)-piperazine hydrochloride | J-0106...
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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.
How do I find a specific compound within By Target/Pathway/Disease?
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.