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
24,642Navigate 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
102,634Explore 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)
19,701Find 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)
8,782Shop 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
- Prednisone 21-acetate● In Stock — US Item #: P302294View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
- SMILES
- CC(=O)OCC(=O)C1(CCC2C1(CC(=O)C3C2CCC4=CC(=O)C=CC34C)C)O
- InChIKey
- MOVRKLZUVNCBIP-RFZYENFJSA-N
- InChI
- show more
- Synonyms
- 17-Hydroxy-3,11,20-trioxopregna-1,4-dien-21-yl acetate, (17.alpha.)- # | 4-08-00-03532 (Beilstein Handbook Reference)...
- AM 4113Solid ≥98%(HPLC)● In Stock — US Item #: A287160View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
- SMILES
- CC1=C(N(N=C1C(=O)N)C2=C(C=C(C=C2)Cl)Cl)C3=CC=C(C=C3)Cl
- InChIKey
- BBUKVPCUOHFAQN-UHFFFAOYSA-N
- InChI
- 1S/C17H12Cl3N3O/c1-9-15(17(21)24)22-23(14-7-6-12(19)8-13(14)20)16(9)10-2-4-11(18)5-3-10/h2-8H,1H3,(H2,21,24)
- Synonyms
- 5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide | 1H-Pyrazole-3-carboxamide, 5-(4-chloro...
- AM 4668CAS: 1011531-27-3 Formula: C24H19F3O4S Molecular Weight: 488.48◐ .Made to order · 8–12 wks Item #: A287780View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (3S)-3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]-3-(1,2-oxazol-3-yl)propanoic acid
- SMILES
- CC1=C(SC(=N1)C2=CC=C(C=C2)C(F)(F)F)COC3=CC=C(C=C3)C(CC(=O)O)C4=NOC=C4
- InChIKey
- BMLGZNVPWRUVNM-IBGZPJMESA-N
- InChI
- show more
- Synonyms
- (βS)-β-[4-[[4-Methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolyl]methoxy]phenyl)-3-isoxazolepropanoic acid
- AN2/AVex-73 hydrochloride saltCAS: 195615-84-0 Formula: C19H24ClNO Molecular Weight: 317.86● In Stock — US Item #: A175437View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-(2,2-diphenyloxolan-3-yl)-N,N-dimethylmethanamine;hydrochloride
- SMILES
- CN(C)CC1CCOC1(C2=CC=CC=C2)C3=CC=CC=C3.Cl
- InChIKey
- FEQOLYDPQKHFTD-UHFFFAOYSA-N
- InChI
- 1S/C19H23NO.ClH/c1-20(2)15-18-13-14-21-19(18,16-9-5-3-6-10-16)17-11-7-4-8-12-17;/h3-12,18H,13-15H2,1-2H3;1H
- Synonyms
- AVex-73 hydrochloride | (+/-)-.DELTA.-HEXALACTONE | Blarcamesine hydrochloride [USAN] | AC-33187 | MFCD30146449 | SCH...
- Desvenlafaxine succinate monohydrateCAS: 386750-22-7 Formula: C16H25NO2.C4H6O4.H2O Molecular Weight: 399.48● In Stock — US Item #: D276264View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- butanedioic acid;4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrate
- SMILES
- CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O.C(CC(=O)O)C(=O)O.O
- InChIKey
- PWPDEXVGKDEKTE-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- Pristiq (TN) | O desmethylvenlafaxine Succinate Monohydrate | DESVENLAFAXINE SUCCINATE [USP-RS] | HY-B0602A | Pristiq...
- AG-370CAS: 134036-53-6 Formula: C15H9N5 Molecular Weight: 259.3◐ .Made to order · 8–12 wks Item #: A275875View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (3Z)-2-amino-4-(1H-indol-5-yl)buta-1,3-diene-1,1,3-tricarbonitrile
- SMILES
- C1=CC2=C(C=CN2)C=C1C=C(C#N)C(=C(C#N)C#N)N
- InChIKey
- CMMDWEJTQUTCKG-WUXMJOGZSA-N
- InChI
- 1S/C15H9N5/c16-7-12(15(19)13(8-17)9-18)6-10-1-2-14-11(5-10)3-4-20-14/h1-6,20H,19H2/b12-6+
- Synonyms
- (3Z)-2-Amino-4-(1H-indol-5-yl)buta-1,3-diene-1,1,3-tricarbonitrile
- Dexamethasone Sodium PhosphateCAS: 55203-24-2 Formula: C22H28FNa2O8P Molecular Weight: 516.4Solid 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 #: D129705View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COP(=O)([O-])[O-])O)C)O)F)C.[Na+].[Na+]
- InChIKey
- PLCQGRYPOISRTQ-FCJDYXGNSA-L
- InChI
- show more
- Synonyms
- Dalalone | Dexagro | Dexadreson
- Methyl phenyl carbonateCAS: 13509-27-8 Formula: C8H8O3 Molecular Weight: 152.15● In Stock — US Item #: M302459View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- methyl phenyl carbonate
- SMILES
- COC(=O)OC1=CC=CC=C1
- InChIKey
- XTBFPVLHGVYOQH-UHFFFAOYSA-N
- InChI
- 1S/C8H8O3/c1-10-8(9)11-7-5-3-2-4-6-7/h2-6H,1H3
- Synonyms
- Phenyl methyl carbonate | J-802276 | AKOS028111050 | methylphenylcarbonate | DS-19692 | SCHEMBL29250 | MFCD04039782 |...
- BIO-acetoxime≥95% mixture of E and Z isomers● In Stock — US Item #: B275424View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [(E)-[2-(6-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino] acetate
- SMILES
- CC(=O)ON=C1C2=CC=CC=C2N=C1C3=C(NC4=C3C=CC(=C4)Br)O
- InChIKey
- HUDSYNWJCPDHLL-CJLVFECKSA-N
- InChI
- 1S/C18H12BrN3O3/c1-9(23)25-22-16-12-4-2-3-5-13(12)20-17(16)15-11-7-6-10(19)8-14(11)21-18(15)24/h2-8,21,24H,1H3/b22-16+
- Synonyms
- GSK-3 Inhibitor X - CAS 740841-15-0 - Calbiochem | NSC764238 | NSC-764238 | AC-32947 | [(E)-[(2Z)-2-(6-bromo-2-oxo-in...
- Dexpramipexole● In Stock — US Item #: D128003View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (6R)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
- SMILES
- CCCNC1CCC2=C(C1)SC(=N2)N
- InChIKey
- FASDKYOPVNHBLU-SSDOTTSWSA-N
- InChI
- 1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m1/s1
- Synonyms
- Dexpramipexole [USAN:INN] | UNII-WI638GUS96 | BDBM50568780 | F19514 | DEXPRAMIPEXOLE [USAN] | (6R)-4,5,6,7-tetrahydro...
- Acetylcholine iodideSolid ≥98%● In Stock — US Item #: A111033View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-acetyloxyethyl(trimethyl)azanium;iodide
- SMILES
- CC(=O)OCC[N+](C)(C)C.[I-]
- InChIKey
- SMBBQHHYSLHDHF-UHFFFAOYSA-M
- InChI
- 1S/C7H16NO2.HI/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1
- Synonyms
- ACh | [2-(acetyloxy)ethyl]trimethylazanium iodide | EINECS 218-862-3 | Acetylholine iodide | Choline acetate (ester),...
- BIX02189, Inhibitor of mitogen-activated protein kinase 7;Inhibitor of mitogen-activated protein kinase kinase 5;Inhibitor of transforming growth factor beta receptor 1CAS: 1265916-41-3 Formula: C27H28N4O2 Molecular Weight: 440.54Solid ≥98%● In Stock — US Item #: B125257View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-[N-[3-[(dimethylamino)methyl]phenyl]-C-phenylcarbonimidoyl]-2-hydroxy-N,N-dimethyl-1H-indole-6-carboxamide
- SMILES
- CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N(C)C)O
- InChIKey
- ZGXOBLVQIVXKEB-UHFFFAOYSA-N
- InChI
- 1S/C27H28N4O2/c1-30(2)17-18-9-8-12-21(15-18)28-25(19-10-6-5-7-11-19)24-22-14-13-20(27(33)31(3)4)16-23(22)29-26(24)32/h5-16,29,32H,17H2,1-4H3
- Synonyms
- BIX-02189 (Random Configuration) | HY-12056A | NCGC00346544-01 | 3-[[3-[(dimethylamino)methyl]anilino]-phenylmethylid...
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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.