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
24,653Navigate 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
2,812PROTAC 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
102,663Explore 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)
19,717Find 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)
8,794Shop 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
- NF 110CAS: 111150-22-2 Formula: C41H28N6Na4O17S4 Molecular Weight: 1096.90◐ .Made to order · 8–12 wks Item #: N287767View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- tetrasodium;4-[[3-[[3,5-bis[(4-sulfonatophenyl)carbamoyl]phenyl]carbamoylamino]-5-[(4-sulfonatophenyl)carbamoyl]benzoyl]amino]benzenesulfonate
- SMILES
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- InChIKey
- AQJHZNCSXLBXMY-UHFFFAOYSA-J
- InChI
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- Synonyms
- 4,4',4'',4'''-[Carbonylbis[imino-5,1,3-benzenetriylbis(carbonylimino)]]tetrakisbenzenesulfonic acid tetrasodium salt
- M35CAS: 142846-71-7 Formula: C107H153N27O26 Molecular Weight: 2233.58◐ .Made to order · 8–12 wks Item #: M344762View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
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- InChIKey
- JWMXJVFGTXYBFM-AEXVMZOXSA-N
- InChI
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- Synonyms
- DTXSID20162199 | M 35 | Galanin-(1-13)-bradykinin-(2-9)-amide | Galanin(1-13)-bradykinin(2-9)amide | L-Argininamide, ...
- MA 2029◐ .Made to order · 8–12 wks Item #: M287570View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
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- SMILES
- CCNC(=O)C(CC1=CC(=C(C=C1)O)C(C)(C)C)NC(=O)C(C(C)C)N(C)C(=O)C(CC2=CC=C(C=C2)F)NC
- InChIKey
- KSDWAJPUTRBIRR-KLJDGLGGSA-N
- InChI
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- Synonyms
- 4-Fluoro-N-methyl-L-phenylalanyl-N-methyl-L-valyl-3-(1,1-dimethylethyl)-N-ethyl-L-tyrosinamide
- GSK2606414CAS: 1337531-36-8 Formula: C24H20F3N5O Molecular Weight: 451.44Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%● In Stock — US Item #: G125654View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
- SMILES
- CN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC=C5)C(F)(F)F
- InChIKey
- SIXVRXARNAVBTC-UHFFFAOYSA-N
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- Synonyms
- AC-29016 | 1-(5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)indolin-1-yl)-2-(3-(trifluoromethyl)phenyl)ethanone...
- Lixisenatide acetateCAS: 1997361-87-1 Formula: C215H347N61O65S.6C2H4O2 Molecular Weight: 4858.49（free base）● In Stock — US Item #: L275704View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- AVE-010 | H-HGEGTFTSDLSKQMEEEAVRLFIEWLKNGGPSSGAPPSKKKKKK-NH2 | AVE 010 | AVE0010 | LIXISENATIDE (MART.) | ZP 10 | H-L...
- GW3965 HCl● In Stock — US Item #: G129708View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]propoxy]phenyl]acetic acid;hydrochloride
- SMILES
- C1=CC=C(C=C1)C(CN(CCCOC2=CC=CC(=C2)CC(=O)O)CC3=C(C(=CC=C3)C(F)(F)F)Cl)C4=CC=CC=C4.Cl
- InChIKey
- NMPUWJFHNOUNQU-UHFFFAOYSA-N
- InChI
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- Synonyms
- GW3965 HCl | MLS006011227 | 2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]propoxy]phe...
- Citric AcidMoligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 1.00 Normal● In Stock — Germany warehouse, ships to US* Item #: C291951View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-hydroxypropane-1,2,3-tricarboxylic acid
- SMILES
- C(C(=O)O)C(CC(=O)O)(C(=O)O)O
- InChIKey
- KRKNYBCHXYNGOX-UHFFFAOYSA-N
- InChI
- 1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
- Synonyms
- Citric acid monoglyceride | Citric acid, 99% | ANHYDROUS CITRIC ACID COMPONENT OF CLENPIQ | HSDB 911 | NCIOpen2_00450...
- GSK3787Solid ≥98%● In Stock — US Item #: G125807View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-chloro-N-[2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylethyl]benzamide
- SMILES
- C1=CC(=CC=C1C(=O)NCCS(=O)(=O)C2=NC=C(C=C2)C(F)(F)F)Cl
- InChIKey
- JFUIMTGOQCQTPF-UHFFFAOYSA-N
- InChI
- 1S/C15H12ClF3N2O3S/c16-12-4-1-10(2-5-12)14(22)20-7-8-25(23,24)13-6-3-11(9-21-13)15(17,18)19/h1-6,9H,7-8H2,(H,20,22)
- Synonyms
- GSK 3787 | SB19571 | J-012157 | 4-Chloranyl-N-(2-(5-(trifluoromethyl)pyridin-2-yl)sulfonylethyl)benzamide | 4-Chloro-...
- GW791343 trihydrochloride● In Stock — US Item #: G129554View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(3,4-difluoroanilino)-N-[2-methyl-5-(piperazin-1-ylmethyl)phenyl]acetamide;trihydrochloride
- SMILES
- CC1=C(C=C(C=C1)CN2CCNCC2)NC(=O)CNC3=CC(=C(C=C3)F)F.Cl.Cl.Cl
- InChIKey
- WSBRAHWNJBXXJM-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- 2-(3,4-difluoroanilino)-N-[2-methyl-5-(piperazin-1-ylmethyl)phenyl]acetamide trihydrochloride | GW791343 HCl
- GW842166X, Cannabinoid CB2 receptor agonistCAS: 666260-75-9 Formula: C18H17Cl2F3N4O2 Molecular Weight: 449.25● In Stock — US Item #: G129840View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(2,4-dichloroanilino)-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
- SMILES
- C1COCCC1CNC(=O)C2=CN=C(N=C2C(F)(F)F)NC3=C(C=C(C=C3)Cl)Cl
- InChIKey
- TWQYWUXBZHPIIV-UHFFFAOYSA-N
- InChI
- 1S/C18H17Cl2F3N4O2/c19-11-1-2-14(13(20)7-11)26-17-25-9-12(15(27-17)18(21,22)23)16(28)24-8-10-3-5-29-6-4-10/h1-2,7,9-10H,3-6,8H2,(H,24,28)(H,25,26,27)
- Synonyms
- E98848 | KBio2_001167 | FT-0652092 | 2-(2,4-dichlorophenylamino)-4-trifluoromethyl-pyrimidine-5-carboxylic acid N-(te...
- NIOBIUM BORIDE● In Stock — US Item #: N302571View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- boranylidyneniobium
- SMILES
- B#[Nb]
- InChIKey
- VDZMENNHPJNJPP-UHFFFAOYSA-N
- InChI
- 1S/B.Nb
- Synonyms
- Niobium monoboride | boranylidyneniobium | MFCD00016236 | Niobium boride(nbb) | AKOS015916104 | EINECS 234-958-8 | Ni...
- GYKI 52466 dihydrochloride◐ .Made to order · 8–12 wks Item #: G287737View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(8-methyl-9H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl)aniline;dihydrochloride
- SMILES
- CC1=NN=C(C2=CC3=C(C=C2C1)OCO3)C4=CC=C(C=C4)N.Cl.Cl
- InChIKey
- NDRITPLSHUPVRR-UHFFFAOYSA-N
- InChI
- 1S/C17H15N3O2.2ClH/c1-10-6-12-7-15-16(22-9-21-15)8-14(12)17(20-19-10)11-2-4-13(18)5-3-11;;/h2-5,7-8H,6,9,18H2,1H3;2*1H
- Synonyms
- 4-(8-Methyl-9H-1,3-dioxolo[4,5-h][2,3]benzodiazepin-5-yl)-benzenamine dihydrochloride
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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.