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
24,653Navigate 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
102,665Explore 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)
19,717Find 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)
8,793Shop 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
- DL-Normetanephrine hydrochlorideCAS: 1011-74-1 EC Number: 213-787-2 PubChem CID: 102542 Formula: C9H13NO3 · HCl Molecular Weight: 219.67● In Stock — US warehouse, ships to EU* Item #: R132741View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(2-amino-1-hydroxyethyl)-2-methoxyphenol;hydrochloride
- SMILES
- COC1=C(C=CC(=C1)C(CN)O)O.Cl
- InChIKey
- VKFPRGQZWKTEON-UHFFFAOYSA-N
- InChI
- 1S/C9H13NO3.ClH/c1-13-9-4-6(8(12)5-10)2-3-7(9)11;/h2-4,8,11-12H,5,10H2,1H3;1H
- Synonyms
- HY-W008794 | UNII-E2RS049K51 | Xylocaine (TN) | (2S)-2-amino-5-guanidino-pentanoic acid | Benzenemethanol, alpha-(ami...
- PF-3716556CAS: 928774-43-0 Formula: C22H26N4O3 Molecular Weight: 394.47● In Stock — US warehouse, ships to EU* Item #: E129590View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-(2-hydroxyethyl)-N,2-dimethyl-8-[[(4R)-5-methyl-3,4-dihydro-2H-chromen-4-yl]amino]imidazo[1,2-a]pyridine-6-carboxamide
- SMILES
- CC1=C2C(CCOC2=CC=C1)NC3=CC(=CN4C3=NC(=C4)C)C(=O)N(C)CCO
- InChIKey
- YBHKBMJREUZHOV-QGZVFWFLSA-N
- InChI
- 1S/C22H26N4O3/c1-14-5-4-6-19-20(14)17(7-10-29-19)24-18-11-16(22(28)25(3)8-9-27)13-26-12-15(2)23-21(18)26/h4-6,11-13,17,24,27H,7-10H2,1-3H3/t17-/m1/s1
- Synonyms
- NCGC00346889-01 | 8-[[(4R)-3,4-Dihydro-5-methyl-2H-1- benzopyran-4-yl]amino]-N-(2-hydroxyethyl)-N,2-dimethyl-imidazo[...
- PF-431396● In Stock — US warehouse, ships to EU* Item #: P127348View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-methyl-N-[2-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide
- SMILES
- CN(C1=CC=CC=C1CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C
- InChIKey
- POJZIZBONPAWIV-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- CCG-221509 | s7644 | DTXSID50469204 | BDBM50246060 | HY-10460 | N-methyl-N-{2-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)...
- Tris[4-(1H-imidazol-1-yl)-phenyl]amine● In Stock — US warehouse, ships to EU* Item #: T302308View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-imidazol-1-yl-N,N-bis(4-imidazol-1-ylphenyl)aniline
- SMILES
- C1=CC(=CC=C1N2C=CN=C2)N(C3=CC=C(C=C3)N4C=CN=C4)C5=CC=C(C=C5)N6C=CN=C6
- InChIKey
- XXDCQSZBEIDWSY-UHFFFAOYSA-N
- InChI
- 1S/C27H21N7/c1-7-25(8-2-22(1)31-16-13-28-19-31)34(26-9-3-23(4-10-26)32-17-14-29-20-32)27-11-5-24(6-12-27)33-18-15-30-21-33/h1-21H
- PHP 501 trifluoroacetate◐ .Made to order · 8–12 wks Item #: P288629View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[1-hydroxy-5-(3-phenylphenyl)pyrazol-4-yl]piperidine;2,2,2-trifluoroacetic acid
- SMILES
- C1CNCCC1C2=C(N(N=C2)O)C3=CC=CC(=C3)C4=CC=CC=C4.C(=O)(C(F)(F)F)O
- InChIKey
- SULXXKLCQRXMHP-UHFFFAOYSA-N
- InChI
- 1S/C20H21N3O.C2HF3O2/c24-23-20(19(14-22-23)16-9-11-21-12-10-16)18-8-4-7-17(13-18)15-5-2-1-3-6-15;3-2(4,5)1(6)7/h1-8,13-14,16,21,24H,9-12H2;(H,6,7)
- Synonyms
- 4-(5-[1,1'-Biphenyl]-3-yl-1-hydroxy-1H-pyrazol-4-yl)piperidine trifluoroacetate
- Boc-5-chloro-DL-tryptophanCAS: 361576-61-6 Formula: C16H19ClN2O4 Molecular Weight: 338.79● In Stock — US warehouse, ships to EU* Item #: B355855View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
- SMILES
- CC(C)(C)OC(=O)NC(CC1=CNC2=C1C=C(C=C2)Cl)C(=O)O
- InChIKey
- PZZXAZAYKCNQAL-UHFFFAOYSA-N
- InChI
- 1S/C16H19ClN2O4/c1-16(2,3)23-15(22)19-13(14(20)21)6-9-8-18-12-5-4-10(17)7-11(9)12/h4-5,7-8,13,18H,6H2,1-3H3,(H,19,22)(H,20,21)
- Synonyms
- Boc-5-chloro-DL-tryptophan (Boc-DL-Trp(5-Cl)-OH) | DTXSID00624583 | FT-0770512 | 2-{[(tert-butoxy)carbonyl]amino}-3-(...
- N-Boc-1-(p-toluenesulfonyl)-L-histidine dicyclohexylammonium saltCAS: 65057-34-3 EC Number: 265-328-0 PubChem CID: 6455009 Formula: C30H46N4O6S Molecular Weight: 590.79● In Stock — US warehouse, ships to EU* Item #: B356818View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-cyclohexylcyclohexanamine;(2S)-3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
- SMILES
- CC1=CC=C(C=C1)S(=O)(=O)N2C=C(N=C2)CC(C(=O)O)NC(=O)OC(C)(C)C.C1CCC(CC1)NC2CCCCC2
- InChIKey
- RNRUVXUHYUOWJW-RSAXXLAASA-N
- InChI
- show more
- Synonyms
- N-cyclohexylcyclohexanamine;(2S)-3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino...
- PR-619CAS: 2645-32-1 Formula: C7H5N5S2 Molecular Weight: 223.28● In Stock — US warehouse, ships to EU* Item #: P126704View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2,6-diamino-5-thiocyanatopyridin-3-yl) thiocyanate
- SMILES
- C1=C(C(=NC(=C1SC#N)N)N)SC#N
- InChIKey
- ZXOBLNBVNROVLC-UHFFFAOYSA-N
- InChI
- 1S/C7H5N5S2/c8-2-13-4-1-5(14-3-9)7(11)12-6(4)10/h1H,(H4,10,11,12)
- Synonyms
- 3,5-Bis-thiocyanato-pyridine-2,6-diamine | Thiocyanic acid, C,C'-(2,6-diamino-3,5-pyridinediyl) ester | HMS1440E01 | ...
- Desipramine Hydrochloride, Norepinephrine transporter inhibitorSolid ≥98%● In Stock — US warehouse, ships to EU* Item #: D136408View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine;hydrochloride
- SMILES
- CNCCCN1C2=CC=CC=C2CCC3=CC=CC=C31.Cl
- InChIKey
- XAEWZDYWZHIUCT-UHFFFAOYSA-N
- InChI
- 1S/C18H22N2.ClH/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20;/h2-5,7-10,19H,6,11-14H2,1H3;1H
- Synonyms
- DMI | EN300-7373300 | 10,f]azepine monohydrochloride | D 3900 | Desipramine hydrochloride | DESIPRAMINE HYDROCHLORIDE...
- PMPA (NMDA antagonist)◐ .Made to order · 8–12 wks Item #: P287273View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(phosphonomethyl)piperazine-2-carboxylic acid
- SMILES
- C1CN(CC(N1)C(=O)O)CP(=O)(O)O
- InChIKey
- ILRBBHJXTYIHTP-UHFFFAOYSA-N
- InChI
- 1S/C6H13N2O5P/c9-6(10)5-3-8(2-1-7-5)4-14(11,12)13/h5,7H,1-4H2,(H,9,10)(H2,11,12,13)
- Synonyms
- J-003041 | HY-107698 | Pmpa(nmda antagonist) | 4-(PHOSPHONOMETHYL)PIPERAZINE-2-CARBOXYLIC ACID | PD079296 | NCGC00159...
- ICA-27243◐ .Made to order · 8–12 wks Item #: I275251View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- N-(6-Chloropyridin-3-yl)-3,4-difluorobenzamide
- Boc-D-2,4,5-trifluorophenylalanineCAS: 486460-09-7 Formula: C14H16F3NO4 Molecular Weight: 319.28● In Stock — US warehouse, ships to EU* Item #: B355843View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2,4,5-trifluorophenyl)propanoic acid
- SMILES
- CC(C)(C)OC(=O)NC(CC1=CC(=C(C=C1F)F)F)C(=O)O
- InChIKey
- FTWHJNNFVISGNQ-LLVKDONJSA-N
- InChI
- 1S/C14H16F3NO4/c1-14(2,3)22-13(21)18-11(12(19)20)5-7-4-9(16)10(17)6-8(7)15/h4,6,11H,5H2,1-3H3,(H,18,21)(H,19,20)/t11-/m1/s1
- Synonyms
- N-Boc-2,4,5-trifluoro-D-phenylalanine | (R)-2-(Boc-amino)-3-(2,4,5-trifluorophenyl)propionic acid | Boc-D-2,4,5-trifl...
![Tris[4-(1H-imidazol-1-yl)-phenyl]amine](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/T/3/T302308.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.
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.