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
24,635Navigate 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
102,621Explore 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
- (+)-JQ1 carboxylic acidCAS: 202592-23-2 Formula: C19H17ClN4O2S Molecular Weight: 400.88● In Stock — US warehouse, ships to EU* Item #: J286888View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetic acid
- SMILES
- CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)O)C4=CC=C(C=C4)Cl)C
- InChIKey
- LJOSBOOJFIRCSO-AWEZNQCLSA-N
- InChI
- 1S/C19H17ClN4O2S/c1-9-10(2)27-19-16(9)17(12-4-6-13(20)7-5-12)21-14(8-15(25)26)18-23-22-11(3)24(18)19/h4-7,14H,8H2,1-3H3,(H,25,26)/t14-/m0/s1
- Synonyms
- EX-A1891 | MFCD28167916 | BCP20870 | 6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetic acid, 4-(4-chlorop...
- Nitrate Ionophore VCAS: 221011-41-2 Formula: C26H20N4S2 Molecular Weight: 452.59● In Stock — US warehouse, ships to EU* Item #: N346573View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 8,10,23,25-tetrazapentacyclo[24.4.0.02,7.011,16.017,22]triaconta-1(30),2,4,6,11,13,15,17,19,21,26,28-dodecaene-9,24-dithione
- SMILES
- C1=CC=C2C(=C1)C3=CC=CC=C3NC(=S)NC4=CC=CC=C4C5=CC=CC=C5NC(=S)N2
- InChIKey
- GVMHPPQEENVYSW-UHFFFAOYSA-N
- InChI
- 1S/C26H20N4S2/c31-25-27-21-13-5-1-9-17(21)18-10-2-6-14-22(18)28-26(32)30-24-16-8-4-12-20(24)19-11-3-7-15-23(19)29-25/h1-16H,(H2,27,29,31)(H2,28,30,32)
- Synonyms
- E79413 | Nitrate Ionophore V is known as an ionophore nitrate. | J-014497 | Nitrate Ionophore V, Selectophore(TM), fu...
- L-Pyroglutamic acid 4-nitroanilideCAS: 66642-35-1 Formula: C11H11N3O4 Molecular Weight: 249.22● In Stock — US warehouse, ships to EU* Item #: L352334View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2S)-N-(4-nitrophenyl)-5-oxopyrrolidine-2-carboxamide
- SMILES
- C1CC(=O)NC1C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]
- InChIKey
- HGNBEWLBSCSJGV-VIFPVBQESA-N
- InChI
- 1S/C11H11N3O4/c15-10-6-5-9(13-10)11(16)12-7-1-3-8(4-2-7)14(17)18/h1-4,9H,5-6H2,(H,12,16)(H,13,15)/t9-/m0/s1
- Synonyms
- Pyroglutamic acid p-nitroanilide, protease substrate | P-8630 | AKOS027384352 | L-Pyroglutamic acid 4-nitroanilide | ...
- LY 171883Solid 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 #: L331358View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-[2-hydroxy-3-propyl-4-[4-(2H-tetrazol-5-yl)butoxy]phenyl]ethanone
- SMILES
- CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCC2=NNN=N2
- InChIKey
- MWYHLEQJTQJHSS-UHFFFAOYSA-N
- InChI
- 1S/C16H22N4O3/c1-3-6-13-14(9-8-12(11(2)21)16(13)22)23-10-5-4-7-15-17-19-20-18-15/h8-9,22H,3-7,10H2,1-2H3,(H,17,18,19,20)
- Synonyms
- 1-{2-Hydroxy-3-propyl-4-[4-(1H-tetrazol-5-yl)-butoxy]-phenyl}-ethanone(LY171883) | 1-{2-Hydroxy-3-propyl-4-[4-(1H-tet...
- LEI 101 hydrochlorideCAS: 2250025-91-1 Formula: C₂₃H₂₅FN₄O₄S.HCl Molecular Weight: 508.99◐ .Made to order · 8–12 wks Item #: L288584View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-cyclopropyl-1-[[4-[6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-fluoropyridin-2-yl]phenyl]methyl]imidazolidine-2,4-dione;hydrochloride
- SMILES
- C1CC1N2C(=O)CN(C2=O)CC3=CC=C(C=C3)C4=NC(=C(C=C4)F)CN5CCS(=O)(=O)CC5.Cl
- InChIKey
- APLLNJWPLUIBCG-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- 3-Cyclopropyl-1-[[4-[6-[(1,1-dioxido-4-thiomorpholinyl)methyl]-5-fluoro-2-pyridinyl]phenyl]methyl]-2,4-imidazolidined...
- 2-(2-Methoxyethoxy)ethanamineCAS: 31576-51-9 Formula: C5H13NO2 Molecular Weight: 119.16● In Stock — US warehouse, ships to EU* Item #: M122033View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(2-methoxyethoxy)ethanamine
- SMILES
- COCCOCCN
- InChIKey
- QWCGXANSAOXRFE-UHFFFAOYSA-N
- InChI
- 1S/C5H13NO2/c1-7-4-5-8-3-2-6/h2-6H2,1H3
- Synonyms
- MeO-EG(2)-NH2 | m-PEG2-amine | m-PEG-amine, MW 40,000 | m-PEG-NH2, MW 10,000 | 2-(2-methoxyethoxyl)ethanamine | m-PEG...
- PF 04479745◐ .Made to order · 8–12 wks Item #: P287787View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (9S)-2-benzyl-N,9-dimethyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
- SMILES
- CC1CNCCC2=C1N=C(N=C2NC)CC3=CC=CC=C3
- InChIKey
- IHHALLDEDARSAL-LBPRGKRZSA-N
- InChI
- 1S/C17H22N4/c1-12-11-19-9-8-14-16(12)20-15(21-17(14)18-2)10-13-6-4-3-5-7-13/h3-7,12,19H,8-11H2,1-2H3,(H,18,20,21)/t12-/m0/s1
- Synonyms
- 5H-Pyrimido(4,5-d)azepin-4-amine, 6,7,8,9-tetrahydro-N,9-dimethyl-2-(phenylmethyl)-, (9S)- | NCGC00485020-01 | PF-447...
- cis-Dimethyl 1-benzyl-3,4-pyrrolidinedicarboxylateCAS: 87813-06-7 Formula: C15H19NO4 Molecular Weight: 277.32● In Stock — US warehouse, ships to EU* Item #: D304820View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- dimethyl (3R,4S)-1-benzylpyrrolidine-3,4-dicarboxylate
- SMILES
- COC(=O)C1CN(CC1C(=O)OC)CC2=CC=CC=C2
- InChIKey
- JSRVVUSBZJFOJO-BETUJISGSA-N
- InChI
- 1S/C15H19NO4/c1-19-14(17)12-9-16(10-13(12)15(18)20-2)8-11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3/t12-,13+
- Synonyms
- cis-Dimethyl 1-benzyl-3,4-pyrrolidinedicarboxylate | F1967-3057 | dimethyl (cis)-1-benzylpyrrolidine-3,4-dicarboxylat...
- (+)-Valienamine Hydrochloride◐ .Made to order · 8–12 wks Item #: V338714View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (1S,2S,3R,6S)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol
- SMILES
- C1=C(C(C(C(C1N)O)O)O)CO
- InChIKey
- XPHOBMULWMGEBA-VZFHVOOUSA-N
- InChI
- 1S/C7H13NO4/c8-4-1-3(2-9)5(10)7(12)6(4)11/h1,4-7,9-12H,2,8H2/t4-,5+,6-,7-/m0/s1
- Synonyms
- (1S,2S,3R,6S)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol | HY-131504A | C(7)-CYCLITOL | Valienamine | Q42799...
- (+)-Norfenfluramine hydrochlorideCAS: 37936-89-3 Formula: C10H13ClF3N Molecular Weight: 239.67● In Stock — US warehouse, ships to EU* Item #: N335882View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2S)-1-[3-(trifluoromethyl)phenyl]propan-2-amine;hydrochloride
- SMILES
- CC(CC1=CC(=CC=C1)C(F)(F)F)N.Cl
- InChIKey
- PIDLOFBRTWNFAR-FJXQXJEOSA-N
- InChI
- 1S/C10H12F3N.ClH/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13;/h2-4,6-7H,5,14H2,1H3;1H/t7-;/m0./s1
- Synonyms
- (+)-Norfenfluramine hydrochloride | DTXSID40746617 | D-Norfenfluramine hydrochloride | Q27268511 | UNII-7LC49OH4I8 | ...
- Norfluoxetine-d5 Hydrochloride (Phenyl-d5)CAS: 1188265-34-0 Formula: C16H12D5ClF3NO Molecular Weight: 336.79Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99 atom% D,≥99%◐ .Made to order · 8–12 wks Item #: N349312View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-(2,3,4,5,6-pentadeuteriophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride
- SMILES
- C1=CC=C(C=C1)C(CCN)OC2=CC=C(C=C2)C(F)(F)F.Cl
- InChIKey
- GMTWWEPBGGXBTO-GWVWGMRQSA-N
- InChI
- 1S/C16H16F3NO.ClH/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12;/h1-9,15H,10-11,20H2;1H/i1D,2D,3D,4D,5D;
- Synonyms
- Norfluoxetine-d5 Hydrochloride (Phenyl-d5) | Norfluoxetine-d5 (hydrochloride) | 1188265-34-0 | 3-(~2~H_5_)Phenyl-3-[4...
- 5,8,11,14,17,20,23,26-Octaoxa-2-azanonacosanedioic acid 1-(9H-fluoren-9-ylmethyl) esterCAS: 756526-02-0 Formula: C34H49NO12 Molecular Weight: 663.76● In Stock — US warehouse, ships to EU* Item #: O122102View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-[2-[2-[2-[2-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
- SMILES
- C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O
- InChIKey
- VYXGUCLTEWCVRY-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- NSC667256 | WLN: ZR CZ DNUNR DO2 | MFCD11041143 | 1-(9H-Fluoren-9-yl)-3-oxo-2,7,10,13,16,19,22,25,28-nonaoxa-4-azahen...
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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.