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).
Targets & Pathways
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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
24,638Navigate 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 for designing and evaluating ADC constructs.
PROTAC
2,815PROTAC and targeted protein degradation tools for discovery research. Browse degrader-related ligands, linkers, and building blocks to assemble or screen PROTAC designs, with clear identifiers for efficient selection.
By Signaling Pathways
102,614Explore 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
- M2I-1CAS: 312271-03-7 Formula: C19H24N4O4S Molecular Weight: 404.4810mM in DMSO● In Stock — US Item #: M423212View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-[[4-[bis(2-methylpropyl)amino]-3-nitrophenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
- SMILES
- CC(C)CN(CC(C)C)C1=C(C=C(C=C1)C=C2C(=O)NC(=S)NC2=O)[N+](=O)[O-]
- InChIKey
- BWEKPQUKWLNUKX-UHFFFAOYSA-N
- InChI
- 1S/C19H24N4O4S/c1-11(2)9-22(10-12(3)4)15-6-5-13(8-16(15)23(26)27)7-14-17(24)20-19(28)21-18(14)25/h5-8,11-12H,9-10H2,1-4H3,(H2,20,21,24,25,28)
- Synonyms
- M2I-1|312271-03-7|MLS000572003|5-[4-(diisobutylamino)-3-nitrobenzylidene]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione|...
- M2I-1CAS: 312271-03-7 Formula: C19H24N4O4S Molecular Weight: 404.48● In Stock — US Item #: M412228View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-[[4-[bis(2-methylpropyl)amino]-3-nitrophenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
- SMILES
- CC(C)CN(CC(C)C)C1=C(C=C(C=C1)C=C2C(=O)NC(=S)NC2=O)[N+](=O)[O-]
- InChIKey
- BWEKPQUKWLNUKX-UHFFFAOYSA-N
- InChI
- 1S/C19H24N4O4S/c1-11(2)9-22(10-12(3)4)15-6-5-13(8-16(15)23(26)27)7-14-17(24)20-19(28)21-18(14)25/h5-8,11-12H,9-10H2,1-4H3,(H2,20,21,24,25,28)
- Synonyms
- M2I-1|312271-03-7|MLS000572003|5-[4-(diisobutylamino)-3-nitrobenzylidene]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione|...
- M344CAS: 251456-60-7 Formula: C16H25N3O3 Molecular Weight: 307.3910mM in DMSO● In Stock — US Item #: M408327View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- 4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)benzamide
- MD2-IN-1CAS: 111797-22-9 Formula: C20H22O6 Molecular Weight: 358.39● In Stock — US Item #: M413525View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (E)-1-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
- SMILES
- COC1=C(C=C(C=C1)C(=O)C=CC2=CC(=C(C(=C2)OC)OC)OC)OC
- InChIKey
- ZKYRYELHPFTZTI-SOFGYWHQSA-N
- InChI
- 1S/C20H22O6/c1-22-16-9-7-14(12-17(16)23-2)15(21)8-6-13-10-18(24-3)20(26-5)19(11-13)25-4/h6-12H,1-5H3/b8-6+
- Synonyms
- 2-Propen-1-one,1-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-
- MD2-TLR4-IN-1CAS: 2249801-12-3 Formula: C22H14Cl2N4O Molecular Weight: 421.28Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99%● In Stock — US Item #: M412200View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2,6-dichloro-N-[3-(1H-indol-5-yl)-1H-indazol-5-yl]benzamide
- SMILES
- C1=CC(=C(C(=C1)Cl)C(=O)NC2=CC3=C(C=C2)NN=C3C4=CC5=C(C=C4)NC=C5)Cl
- InChIKey
- AZPDJGLJPDRCDQ-UHFFFAOYSA-N
- InChI
- 1S/C22H14Cl2N4O/c23-16-2-1-3-17(24)20(16)22(29)26-14-5-7-19-15(11-14)21(28-27-19)13-4-6-18-12(10-13)8-9-25-18/h1-11,25H,(H,26,29)(H,27,28)
- Synonyms
- N-(3-(1H-Indol-5-yl)-1H-indazol-5-yl)-2,6-dichlorobenzamide
- MDK 24720 (CTLA-4 inhibitor)CAS: 635324-72-0 Formula: C21H13F4N5O Molecular Weight: 427.35● In Stock — US Item #: M412249View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(4-fluorophenyl)-10-methyl-7-[3-(trifluoromethyl)phenyl]-3,4,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-5-one
- SMILES
- CN1C2=NC(=C3C(=C2C=N1)NN(C3=O)C4=CC=C(C=C4)F)C5=CC(=CC=C5)C(F)(F)F
- InChIKey
- WQKVVTLTCHDAST-UHFFFAOYSA-N
- InChI
- 1S/C21H13F4N5O/c1-29-19-15(10-26-29)18-16(20(31)30(28-18)14-7-5-13(22)6-8-14)17(27-19)11-3-2-4-12(9-11)21(23,24)25/h2-10,28H,1H3
- Synonyms
- 2-(4-Fluorophenyl)-6-methyl-4-(3-(trifluoromethyl)phenyl)-1,2-dihydrodipyrazolo[3,4-b:3',4'-d]pyridin-3(6H)-one | B7/...
- MDK-1088CAS: 1350920-22-7 Formula: C22H25F3N2O Molecular Weight: 390.4● In Stock — US Item #: M412240View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-benzyl-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
- SMILES
- CN(CC1=CC=CC=C1)C(=O)C2CCCN(C2)CC3=CC=C(C=C3)C(F)(F)F
- InChIKey
- UYYRGUHHPKHWTR-UHFFFAOYSA-N
- InChI
- 1S/C22H25F3N2O/c1-26(14-17-6-3-2-4-7-17)21(28)19-8-5-13-27(16-19)15-18-9-11-20(12-10-18)22(23,24)25/h2-4,6-7,9-12,19H,5,8,13-16H2,1H3
- Synonyms
- T.cruzi Inhibitor
- MCHr1 antagonist 2CAS: 863115-70-2 Formula: C23H21FN2O5 Molecular Weight: 424.42● In Stock — US Item #: M412388View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-6-fluoro-4-oxochromene-2-carboxamide
- SMILES
- C1CN(CCC1NC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)F)CC4=CC5=C(C=C4)OCO5
- InChIKey
- HHCYCBKPWYJVEB-UHFFFAOYSA-N
- InChI
- 1S/C23H21FN2O5/c24-15-2-4-19-17(10-15)18(27)11-22(31-19)23(28)25-16-5-7-26(8-6-16)12-14-1-3-20-21(9-14)30-13-29-20/h1-4,9-11,16H,5-8,12-13H2,(H,25,28)
- MD2-IN-1CAS: 111797-22-9 Formula: C20H22O6 Molecular Weight: 358.3910mM in DMSO● In Stock — US Item #: M420630View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (E)-1-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
- SMILES
- COC1=C(C=C(C=C1)C(=O)C=CC2=CC(=C(C(=C2)OC)OC)OC)OC
- InChIKey
- ZKYRYELHPFTZTI-SOFGYWHQSA-N
- InChI
- 1S/C20H22O6/c1-22-16-9-7-14(12-17(16)23-2)15(21)8-6-13-10-18(24-3)20(26-5)19(11-13)25-4/h6-12H,1-5H3/b8-6+
- Synonyms
- 2-Propen-1-one,1-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-
- MDL 100009CAS: 175673-57-1 Formula: C22H28FNO3 Molecular Weight: 373.50◐ .Made to order · 8–12 wks Item #: M412429View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (S)-(2,3-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol
- SMILES
- COC1=CC=CC(=C1OC)C(C2CCN(CC2)CCC3=CC=C(C=C3)F)O
- InChIKey
- HXTGXYRHXAGCFP-NRFANRHFSA-N
- InChI
- 1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m0/s1
- Synonyms
- (-)-MDL 100907；(S)-Volinanserin；(S)-(2,3-Dimethoxyphenyl)(1-(4-fluorophenethyl)piperidin-4-yl)methanol
- ME-401CAS: 1595129-71-7 Formula: C31H40N8O3S Molecular Weight: 604.7710mM in DMSO● In Stock — US Item #: M421909View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[2-methyl-1-[2-(1-methylpiperidin-4-yl)phenyl]propan-2-yl]-4-(2-methylsulfonylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
- SMILES
- CC(C)(CC1=CC=CC=C1C2CCN(CC2)C)NC3=NC(=NC(=N3)N4CCOCC4)N5C6=CC=CC=C6N=C5S(=O)(=O)C
- InChIKey
- PGTXVGREXBMCCY-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- PWT-143 | P110δ-IN-11,3,5-Triazin-2-amine,N-[1,1-dimethyl-2-[2-(1-methyl-4-piperidinyl)phenyl]ethyl]-�...
- MK-3903CAS: 1219737-12-8 Formula: C27H19ClN2O3 Molecular Weight: 454.9● In Stock — US Item #: M414191View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-[[6-chloro-5-(4-phenylphenyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid
- SMILES
- CC1=C(C=C(C=C1)OC2=NC3=C(N2)C=C(C(=C3)C4=CC=C(C=C4)C5=CC=CC=C5)Cl)C(=O)O
- InChIKey
- FIKQZQDYGXAUHC-UHFFFAOYSA-N
- InChI
- show more
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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.