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).
By Target / Pathway / Disease
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Ready-to-screen compound libraries and focused sets for hit discovery. Browse libraries by target class, pathway, scaffold, or application, and review size, format, and compound information to build screening panels.Customize Your Screening Library to choose compounds, format, and volume, and we’ll prepare a ready-to-use set for you.Customize Your Screening Library
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
102,635Explore 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)
19,700Find 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
- Amastatin hydrochlorideCAS: 100938-10-1 EC Number: 805-363-6 PubChem CID: 180936 Formula: C21H39ClN4O8 Molecular Weight: 511.01Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%◐ .Made to order · 8–12 wks Item #: A275547View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
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- SMILES
- CC(C)CC(C(C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(CC(=O)O)C(=O)O)O)N.Cl
- InChIKey
- GBDUPCKQTDKNLS-PORDUOSCSA-N
- InChI
- show more
- Synonyms
- HY-115194 | Amastatin HCl | J-000280 | N-[2-({2-[(3-Amino-1,2-dihydroxy-5-methylhexylidene)amino]-1-hydroxy-3-methylb...
- AZD3514, Androgen Receptor modulator● In Stock — US warehouse, ships to EU* Item #: A126496View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-[4-[2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]ethyl]piperazin-1-yl]ethanone
- SMILES
- CC(=O)N1CCN(CC1)CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5C(F)(F)F)CC4
- InChIKey
- JMEYDSHPKCSIJC-UHFFFAOYSA-N
- InChI
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- Synonyms
- 1-[4-[2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]ethyl]pipe...
- Boc-2-amino-5-bromobenzoic acidSolid ≥97%● In Stock — US warehouse, ships to EU* Item #: B355862View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
- SMILES
- CC(C)(C)OC(=O)NC1=C(C=C(C=C1)Br)C(=O)O
- InChIKey
- XRMSYCMCKRUWJD-UHFFFAOYSA-N
- InChI
- 1S/C12H14BrNO4/c1-12(2,3)18-11(17)14-9-5-4-7(13)6-8(9)10(15)16/h4-6H,1-3H3,(H,14,17)(H,15,16)
- Synonyms
- N-Boc-5-Bromoanthranilic acid | 5-Bromo-2-((tert-butoxycarbonyl)amino)benzoic acid | Benzoic acid,5-bromo-2-[[(1,1-di...
- VH 298● In Stock — US warehouse, ships to EU* Item #: V287785View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
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- SMILES
- CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)C4(CC4)C#N)O
- InChIKey
- NDVQUNZCNAMROD-RZUBCFFCSA-N
- InChI
- show more
- Synonyms
- (2S,4R)-1-((S)-2-(1-cyanocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)p...
- Boc-D-Trp(For)-OHCAS: 64905-10-8 Formula: C16H23NO5 Molecular Weight: 309.36Solid ≥98%● In Stock — US warehouse, ships to EU* Item #: B356816View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2R)-3-(1-formylindol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
- SMILES
- CC(C)(C)OC(=O)NC(CC1=CN(C2=CC=CC=C21)C=O)C(=O)O
- InChIKey
- IHXHBYFWSOYYTR-CYBMUJFWSA-N
- InChI
- 1S/C17H20N2O5/c1-17(2,3)24-16(23)18-13(15(21)22)8-11-9-19(10-20)14-7-5-4-6-12(11)14/h4-7,9-10,13H,8H2,1-3H3,(H,18,23)(H,21,22)/t13-/m1/s1
- Synonyms
- IHXHBYFWSOYYTR-CYBMUJFWSA-N | (R)-2-((tert-Butoxycarbonyl)amino)-3-(1-formyl-1H-indol-3-yl)propanoic acid | (R)-2-(te...
- H2L 5765834CAS: 420841-84-5 Formula: C21H12N2O7 Molecular Weight: 404.33● In Stock — US warehouse, ships to EU* Item #: H286733View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[3-(4-nitrophenoxy)phenyl]-1,3-dioxoisoindole-5-carboxylic acid
- SMILES
- C1=CC(=CC(=C1)OC2=CC=C(C=C2)[N+](=O)[O-])N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)O
- InChIKey
- HFYPTENHTPNXGP-UHFFFAOYSA-N
- InChI
- 1S/C21H12N2O7/c24-19-17-9-4-12(21(26)27)10-18(17)20(25)22(19)14-2-1-3-16(11-14)30-15-7-5-13(6-8-15)23(28)29/h1-11H,(H,26,27)
- Synonyms
- 2-(3-(4-nitrophenoxy)phenyl)-1,3-dioxoisoindoline-5-carboxylicacid | SR-01000219364 | 2,3-Dihydro-2-(3-(4-nitrophenox...
- H-Val-Glu-OH TFACAS: 3062-07-5(free base) Formula: C10H18N2O5(free base) Molecular Weight: 246.26(free base)● In Stock — US warehouse, ships to EU* Item #: H333238View ProductPricing & Pack Sizes
Technical Identifiers
- DocosafluorodecaneCAS: 307-45-9 Formula: C10F22 Molecular Weight: 538.07● In Stock — US warehouse, ships to EU* Item #: D352184View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-docosafluorodecane
- SMILES
- C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
- InChIKey
- BPHQIXJDBIHMLT-UHFFFAOYSA-N
- InChI
- 1S/C10F22/c11-1(12,3(15,16)5(19,20)7(23,24)9(27,28)29)2(13,14)4(17,18)6(21,22)8(25,26)10(30,31)32
- Synonyms
- PERFLUORO-N-DECANE | DSSTox_CID_9059 | A820597 | 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-docosafluorodecane | ...
- N-(2-Hydroxy-3-sulfopropyl)-3,5-dimethoxyaniline sodium saltCAS: 82692-88-4 Formula: C11H16NO6SNa Molecular Weight: 313.30Solid ≥98%● In Stock — US warehouse, ships to EU* Item #: H102992View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- sodium;3-(3,5-dimethoxyanilino)-2-hydroxypropane-1-sulfonate
- SMILES
- COC1=CC(=CC(=C1)NCC(CS(=O)(=O)[O-])O)OC.[Na+]
- InChIKey
- SVLRFMQGKVFRTB-UHFFFAOYSA-M
- InChI
- 1S/C11H17NO6S.Na/c1-17-10-3-8(4-11(5-10)18-2)12-6-9(13)7-19(14,15)16;/h3-5,9,12-13H,6-7H2,1-2H3,(H,14,15,16);/q;+1/p-1
- Synonyms
- 3-(3,5-Dimethoxyanilino)-2-hydroxypropanesulfonic Acid Sodium Salt | Sodium 3-(3,5-Dimethoxyanilino)-2-hydroxypropane...
- Boc-DL-glutamic acid gamma-benzyl esterSolid ≥98%● In Stock — US warehouse, ships to EU* Item #: B356486View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-phenylmethoxypentanoic acid
- SMILES
- CC(C)(C)OC(=O)NC(CCC(=O)OCC1=CC=CC=C1)C(=O)O
- InChIKey
- AJDUMMXHVCMISJ-UHFFFAOYSA-N
- InChI
- 1S/C17H23NO6/c1-17(2,3)24-16(22)18-13(15(20)21)9-10-14(19)23-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,20,21)
- Synonyms
- Boc-DL-Glu(OBzl)-OH
- Boc-D-aspartic acid alpha-amide● In Stock — US warehouse, ships to EU* Item #: B356229View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (3R)-4-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
- SMILES
- CC(C)(C)OC(=O)NC(CC(=O)O)C(=O)N
- InChIKey
- VKCARTLEXJLJBZ-RXMQYKEDSA-N
- InChI
- 1S/C9H16N2O5/c1-9(2,3)16-8(15)11-5(7(10)14)4-6(12)13/h5H,4H2,1-3H3,(H2,10,14)(H,11,15)(H,12,13)/t5-/m1/s1
- Synonyms
- Butanoic acid,4-amino-3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-oxo-, (3R)- | MFCD00151866 | Boc-D-aspartic acid alph...
- DolasetronCAS: 115956-12-2 Formula: C19H20N2O3 Molecular Weight: 324.37Solid ≥98%● In Stock — US warehouse, ships to EU* Item #: D335819View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [(3S,7R)-10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl] 1H-indole-3-carboxylate
- SMILES
- C1C2CC3CC(CC1N3CC2=O)OC(=O)C4=CNC5=CC=CC=C54
- InChIKey
- UKTAZPQNNNJVKR-AKJUYKBHSA-N
- InChI
- 1S/C19H20N2O3/c22-18-10-21-12-5-11(18)6-13(21)8-14(7-12)24-19(23)16-9-20-17-4-2-1-3-15(16)17/h1-4,9,11-14,20H,5-8,10H2/t11?,12-,13+,14?
- Synonyms
- D5820 | DOLASETRON [VANDF] | MDL-73147 | 1H-INDOLE-3-CARBOXYLIC ACID, OCTAHYDRO-3-OXO-2,6-METHANO-2H-QUINOLIZIN-8-YL ...
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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.