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
24,635Navigate 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
- MK-5108 (VX-689), Serine/threonine-protein kinase Aurora-A inhibitorCAS: 1010085-13-8 Formula: C22H21ClFN3O3S Molecular Weight: 461.94Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO● In Stock — US warehouse, ships to EU* Item #: M408815View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- trans-4-(3-chloro-2-fluorophenoxy)-1-[[6-(2-thiazolylamino)-2-pyridinyl]methyl]-cyclohexanecarboxylic ...
- MK2 Kinase Inhibitor◐ .Made to order · 8–12 wks Item #: M275913View ProductPricing & Pack Sizes
Technical Identifiers
- MKC8866CAS: 1338934-59-0 Formula: C18H19NO7 Molecular Weight: 361.35Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥97%● In Stock — US warehouse, ships to EU* Item #: M414235View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 7-hydroxy-6-methoxy-4-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-2-oxochromene-8-carbaldehyde
- SMILES
- CC1=C(C(=O)OC2=C(C(=C(C=C12)OC)O)C=O)CC(=O)N3CCOCC3
- InChIKey
- IFDGMRMUJYGWQQ-UHFFFAOYSA-N
- InChI
- 1S/C18H19NO7/c1-10-11-7-14(24-2)16(22)13(9-20)17(11)26-18(23)12(10)8-15(21)19-3-5-25-6-4-19/h7,9,22H,3-6,8H2,1-2H3
- Synonyms
- s8875 | MKC8866 | MKC-8866 | EX-A4347 | IRE1 RNase inhibitor 8866 | A936785 | BS-15211 | Orin 1001 [WHO-DD] | 2H-1-Be...
- ML 281CAS: 1404437-62-2 Formula: C22H19N3O2S Molecular Weight: 389.4710mM in DMSO● In Stock — US warehouse, ships to EU* Item #: M421512View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[2-(3-oxo-4H-quinoxalin-2-yl)-4-propan-2-ylphenyl]thiophene-2-carboxamide
- SMILES
- CC(C)C1=CC(=C(C=C1)NC(=O)C2=CC=CS2)C3=NC4=CC=CC=C4NC3=O
- InChIKey
- HWOYIOLMBQSTQS-UHFFFAOYSA-N
- InChI
- 1S/C22H19N3O2S/c1-13(2)14-9-10-16(24-21(26)19-8-5-11-28-19)15(12-14)20-22(27)25-18-7-4-3-6-17(18)23-20/h3-13H,1-2H3,(H,24,26)(H,25,27)
- Synonyms
- N-[2-(3,4-Dihydro-3-oxo-2-quinoxalinyl)-4-(1-methylethyl)phenyl]-2-thiophenecarboxamide；N-(4-isopropyl-2-(3-oxo-3,4-d...
- ML 334CAS: 1432500-66-7 Formula: C26H26N2O5 Molecular Weight: 446.5◐ .Made to order · 8–12 wks Item #: M287447View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (1S,2R)-2-[(1S)-1-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclohexane-1-carboxylic acid
- SMILES
- C1CCC(C(C1)C(=O)N2CCC3=CC=CC=C3C2CN4C(=O)C5=CC=CC=C5C4=O)C(=O)O
- InChIKey
- LNENLABLFGGAFF-BHIFYINESA-N
- InChI
- show more
- Synonyms
- LH601A | (1S,2R)-2-[[(1S)-1-[(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]-3,4-dihydro-2(1H)-isoquinolinyl]carbonyl...
- ML 335CAS: 825658-06-8 Formula: C15H14Cl2N2O3S Molecular Weight: 373.2510mM in DMSO● In Stock — US warehouse, ships to EU* Item #: M426134View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[(2,4-dichlorophenyl)methyl]-4-(methanesulfonamido)benzamide
- SMILES
- CS(=O)(=O)NC1=CC=C(C=C1)C(=O)NCC2=C(C=C(C=C2)Cl)Cl
- InChIKey
- RDFIQTZRJRVFHK-UHFFFAOYSA-N
- InChI
- 1S/C15H14Cl2N2O3S/c1-23(21,22)19-13-6-3-10(4-7-13)15(20)18-9-11-2-5-12(16)8-14(11)17/h2-8,19H,9H2,1H3,(H,18,20)
- Synonyms
- N-[(2,4-dichlorophenyl)methyl]-4-(methanesulfonamido)benzamide | N-[(2,4-DICHLOROPHENYL)METHYL]-4-METHANESULFONAMIDOB...
- ML 365CAS: 947914-18-3 Formula: C22H20N2O3 Molecular Weight: 360.4110mM in DMSO● In Stock — US warehouse, ships to EU* Item #: M427054View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-methoxy-N-[3-[(3-methylbenzoyl)amino]phenyl]benzamide
- SMILES
- CC1=CC(=CC=C1)C(=O)NC2=CC(=CC=C2)NC(=O)C3=CC=CC=C3OC
- InChIKey
- UTAJHKSGYJSZBR-UHFFFAOYSA-N
- InChI
- 1S/C22H20N2O3/c1-15-7-5-8-16(13-15)21(25)23-17-9-6-10-18(14-17)24-22(26)19-11-3-4-12-20(19)27-2/h3-14H,1-2H3,(H,23,25)(H,24,26)
- Synonyms
- ML365;ML365;2-Methoxy-N-[3-[(3-methylbenzoyl)amino]phenyl]benzamide;2-methoxy-N-(3-(3-methylbenzamido)phenyl)benzamide
- ML-030CAS: 1013750-77-0 Formula: C20H20N4O4S Molecular Weight: 412.46Solid 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 #: M333504View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-(2,5-dimethoxyphenyl)-6-(3,4-dimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
- SMILES
- COC1=CC(=C(C=C1)OC)C2=NN=C3N2N=C(CS3)C4=CC(=C(C=C4)OC)OC
- InChIKey
- DZAUSKKPHXFGNN-UHFFFAOYSA-N
- InChI
- 1S/C20H20N4O4S/c1-25-13-6-8-16(26-2)14(10-13)19-21-22-20-24(19)23-15(11-29-20)12-5-7-17(27-3)18(9-12)28-4/h5-10H,11H2,1-4H3
- Synonyms
- CID-11757146 | 3-(2,5-dimethoxyphenyl)-6-(3,4-dimethoxyphenyl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine
- MK-8033, Macrophage-stimulating protein receptor inhibitorCAS: 1001917-37-8 Formula: C25H21N5O3S Molecular Weight: 471.53◐ .Made to order · 8–12 wks Item #: M127968View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]-N-(pyridin-2-ylmethyl)methanesulfonamide
- SMILES
- CN1C=C(C=N1)C2=CC3=C(C=CC4=C(C3=O)C=C(C=C4)CS(=O)(=O)NCC5=CC=CC=N5)N=C2
- InChIKey
- VMJFTOSOFDEKTM-UHFFFAOYSA-N
- InChI
- 1S/C25H21N5O3S/c1-30-15-20(13-28-30)19-11-23-24(27-12-19)8-7-18-6-5-17(10-22(18)25(23)31)16-34(32,33)29-14-21-4-2-3-9-26-21/h2-13,15,29H,14,16H2,1H3
- Synonyms
- EX-A2612 | VMJFTOSOFDEKTM-UHFFFAOYSA-N | BDBM50427138 | 1-[2-(1-methylpyrazol-4-yl)-11-oxobenzo[1,2]cyclohepta[2,4-b]...
- MK-8745CAS: 885325-71-3 Formula: C20H19ClFN5OS Molecular Weight: 431.9110mM in DMSO● In Stock — US warehouse, ships to EU* Item #: M426682View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (3-chloro-2-fluorophenyl)-[4-[[6-(1,3-thiazol-2-ylamino)pyridin-2-yl]methyl]piperazin-1-yl]methanone
- SMILES
- C1CN(CCN1CC2=NC(=CC=C2)NC3=NC=CS3)C(=O)C4=C(C(=CC=C4)Cl)F
- InChIKey
- YCRFPWKUUNKNDN-UHFFFAOYSA-N
- InChI
- 1S/C20H19ClFN5OS/c21-16-5-2-4-15(18(16)22)19(28)27-10-8-26(9-11-27)13-14-3-1-6-17(24-14)25-20-23-7-12-29-20/h1-7,12H,8-11,13H2,(H,23,24,25)
- Synonyms
- (3-Chloro-2-fluorophenyl)[4-[[6-(2-thiazolylamino)-2-pyridinyl]methyl]-1-piperazinyl]-methanone | 1-(3-Chloro-2-fluor...
- MK-8776 (SCH 900776), Serine/threonine-protein kinase Chk1 inhibitor2mM in DMSO● In Stock — US warehouse, ships to EU* Item #: M408689View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- 6-bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-((R)-piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
- ML 210● In Stock — US warehouse, ships to EU* Item #: M287158View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]-(5-methyl-4-nitro-1,2-oxazol-3-yl)methanone
- SMILES
- CC1=C(C(=NO1)C(=O)N2CCN(CC2)C(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)[N+](=O)[O-]
- InChIKey
- VIBHJPDPEVVDTB-UHFFFAOYSA-N
- InChI
- 1S/C22H20Cl2N4O4/c1-14-20(28(30)31)19(25-32-14)22(29)27-12-10-26(11-13-27)21(15-2-6-17(23)7-3-15)16-4-8-18(24)9-5-16/h2-9,21H,10-13H2,1H3
- Synonyms
- CID 49766530 | ML-210 | BRD-K01877528-001-01-6 | SMR001941104 | HY-100003 | SCHEMBL21965947 | D83838 | CHEBI:92034 | ...
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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.