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
- BET bromodomain inhibitorCAS: 1505453-59-7 Formula: C24H20ClN5O2 Molecular Weight: 445.90● In Stock — US warehouse, ships to EU* Item #: B412817View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[(4S)-6-(4-chlorophenyl)-1-methyl-8-(1-methylpyrazol-4-yl)-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide
- SMILES
- CC1=NOC2=C1C3=C(C=C(C=C3)C4=CN(N=C4)C)C(=NC2CC(=O)N)C5=CC=C(C=C5)Cl
- InChIKey
- QFLGNZXBWIQDLQ-FQEVSTJZSA-N
- InChI
- show more
- Synonyms
- 2-[(4S)-6-(4-chlorophenyl)-1-methyl-8-(1-methylpyrazol-4-yl)-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide
- BFH772, Vascular endothelial growth factor receptor 2 inhibitorCAS: 890128-81-1 Formula: C23H16F3N3O3 Molecular Weight: 439.3910mM in DMSO● In Stock — US warehouse, ships to EU* Item #: B426697View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 6-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
- SMILES
- C1=CC(=CC(=C1)NC(=O)C2=CC=CC3=C2C=CC(=C3)OC4=NC=NC(=C4)CO)C(F)(F)F
- InChIKey
- JNLSTLQFDDAULK-UHFFFAOYSA-N
- InChI
- 1S/C23H16F3N3O3/c24-23(25,26)15-4-2-5-16(10-15)29-22(31)20-6-1-3-14-9-18(7-8-19(14)20)32-21-11-17(12-30)27-13-28-21/h1-11,13,30H,12H2,(H,29,31)
- Synonyms
- BCP18910 | MFCD30534392 | HMS3649L19 | T1IV236CVP | 6-[[6-(hydroxymethyl)-4-pyrimidinyl]oxy]-N-[3-(trifluoromethyl)ph...
- BGT226 (NVP-BGT226) maleate, PI3-kinase class I inhibitorCAS: 1245537-68-1 Formula: C28H25F3N6O2.C4H4O4 Molecular Weight: 650.610mM in DMSO● In Stock — US warehouse, ships to EU* Item #: B408695View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- 8-(6-methoxypyridin-3-yl)-3-methyl-1-(4-(piperazin-1-yl)-3-(trifluoromethyl)phenyl)-1H-imidazo[4,5-c]quinolin-2(3H)-o...
- BH3I-1CAS: 300817-68-9 Formula: C15H14BrNO3S2 Molecular Weight: 400.310mM in DMSO● In Stock — US warehouse, ships to EU* Item #: B423092View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[(5E)-5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylbutanoic acid
- SMILES
- CC(C)C(C(=O)O)N1C(=O)C(=CC2=CC=C(C=C2)Br)SC1=S
- InChIKey
- COHIEJLWRGREHV-YRNVUSSQSA-N
- InChI
- 1S/C15H14BrNO3S2/c1-8(2)12(14(19)20)17-13(18)11(22-15(17)21)7-9-3-5-10(16)6-4-9/h3-8,12H,1-2H3,(H,19,20)/b11-7+
- Synonyms
- 2-[5-(4-Bromo-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-3-methyl-butyric acid | HY-100383 | Probes1_000085 | 2-[5...
- BIX 02188, Inhibitor of mitogen-activated protein kinase 7;Inhibitor of mitogen-activated protein kinase kinase 5CAS: 1094614-84-2 Formula: C25H24N4O2 Molecular Weight: 412.48Moligand™ ? 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◐ .Made to order · 8–12 wks Item #: B407771View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- (Z)-3-((3-((dimethylamino)methyl)phenylamino)(phenyl)methylene)-2-oxoindoline-6-carboxamide
- BIX 02189, Inhibitor of mitogen-activated protein kinase 7;Inhibitor of mitogen-activated protein kinase kinase 5;Inhibitor of transforming growth factor beta receptor 1CAS: 1094614-85-3 Formula: C27H28N4O2 Molecular Weight: 440.54Moligand™ ? 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 #: B407824View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- (Z)-3-((3-((dimethylamino)methyl)phenylamino)(phenyl)methylene)-N,N-dimethyl-2-oxoindoline-6-carboxamide
- BIP-135Solid 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 #: B338804View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-(1-benzofuran-3-yl)-4-(5-bromo-1-methylindol-3-yl)pyrrole-2,5-dione
- SMILES
- CN1C=C(C2=C1C=CC(=C2)Br)C3=C(C(=O)NC3=O)C4=COC5=CC=CC=C54
- InChIKey
- QKQJCKAXFJBYKJ-UHFFFAOYSA-N
- InChI
- 1S/C21H13BrN2O3/c1-24-9-14(13-8-11(22)6-7-16(13)24)18-19(21(26)23-20(18)25)15-10-27-17-5-3-2-4-12(15)17/h2-10H,1H3,(H,23,25,26)
- Synonyms
- 3-(5-Bromo-1-methyl-1H-indol-3-yl)-4-(benzofuran-3-yl)pyrrole-2,5-dione | AKOS016362524 | bip-135 | 3-Benzofuran-3-yl...
- BL-91810mM in DMSO● In Stock — US warehouse, ships to EU* Item #: B422553View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2R)-2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-N-(2,4-difluorophenyl)-2-phenylacetamide
- SMILES
- C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)F)F)NC(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F
- InChIKey
- BDBWQANRZRCMMD-LJQANCHMSA-N
- InChI
- show more
- Synonyms
- MFCD31693829 | (alphaR)-alpha-[[[[3,5-Bis(trifluoromethyl)phenyl]amino]thioxomethyl]amino]-N-(2,4-difluorophenyl)benz...
- BLT-1CAS: 321673-30-7 Formula: C12H23N3S Molecular Weight: 241.4● In Stock — US warehouse, ships to EU* Item #: B412587View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [(E)-(2-hexylcyclopentylidene)amino]thiourea
- SMILES
- CCCCCCC1CCCC1=NNC(=S)N
- InChIKey
- OWGUSBISUVLUJF-SDNWHVSQSA-N
- InChI
- 1S/C12H23N3S/c1-2-3-4-5-7-10-8-6-9-11(10)14-15-12(13)16/h10H,2-9H2,1H3,(H3,13,15,16)/b14-11+
- Synonyms
- 33M20 | Probes2_000409 | DTXSID80430563 | Probes1_000008 | Probes1_000093 | Probes2_000390 | BLT-1 | E74752 | EN300-6...
- BLU-9931, Inhibitor of fibroblast growth factor receptor 1;Inhibitor of fibroblast growth factor receptor 2;Inhibitor of fibroblast growth factor receptor 3;Inhibitor of fibroblast growth factor receptor 4CAS: 1538604-68-0 Formula: C26H22Cl2N4O3 Molecular Weight: 509.384Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 2mM in DMSO● In Stock — US warehouse, ships to EU* Item #: B421827View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]-3-methylphenyl]prop-2-enamide
- SMILES
- CC1=C(C(=CC=C1)NC(=O)C=C)NC2=NC=C3C=C(C=CC3=N2)C4=C(C(=CC(=C4Cl)OC)OC)Cl
- InChIKey
- TXEBNKKOLVBTFK-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- B0084-470871 | BLU 9931 [WHO-DD] | N-(2-((6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl)amino)-3-methylphenyl)a...
- BLZ945, Inhibitor of colony stimulating factor 1 receptor;Inhibitor of KIT proto-oncogene; receptor tyrosine kinase;Inhibitor of platelet derived growth factor receptor betaCAS: 953769-46-5 Formula: C20H22N4O3S Molecular Weight: 398.48Moligand™ ? 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 #: B408030View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- 4-(2-((1R,2R)-2-hydroxycyclohexylamino)benzo[d]thiazol-6-yloxy)-N-methylpicolinamide
- BM212CAS: 146204-42-4 Formula: C23H25Cl2N3 Molecular Weight: 414.37● In Stock — US warehouse, ships to EU* Item #: B412397View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-[[1,5-bis(4-chlorophenyl)-2-methylpyrrol-3-yl]methyl]-4-methylpiperazine
- SMILES
- CC1=C(C=C(N1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)CN4CCN(CC4)C
- InChIKey
- YWZIODCWLMCMMW-UHFFFAOYSA-N
- InChI
- 1S/C23H25Cl2N3/c1-17-19(16-27-13-11-26(2)12-14-27)15-23(18-3-5-20(24)6-4-18)28(17)22-9-7-21(25)8-10-22/h3-10,15H,11-14,16H2,1-2H3
- Synonyms
- BM212 cpd | U9HSU4GZWL | BS-15436 | HY-100725 | SCHEMBL1452627 | BM212 | BM-212 | AKOS032944899 | BCP24821 | 1-((1,5-...
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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.