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).
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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
- Oxo-piperazin-1-yl-acetic acidCAS: 691394-09-9 Formula: C6H10N2O3 Molecular Weight: 158.16Solid ≥97%● In Stock — US Item #: O356884View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-oxo-2-piperazin-1-ylacetic acid
- SMILES
- C1CN(CCN1)C(=O)C(=O)O
- InChIKey
- OOLCKTWCPKNNOG-UHFFFAOYSA-N
- InChI
- 1S/C6H10N2O3/c9-5(6(10)11)8-3-1-7-2-4-8/h7H,1-4H2,(H,10,11)
- Synonyms
- Oxo-piperazin-1-yl-acetic acid | EN300-146634 | F1929-0003 | 2-oxo-2-(piperazin-1-yl)acetic acid | SCHEMBL3821587 | M...
- AT7867CAS: 857531-00-1 Formula: C20H20ClN3 Molecular Weight: 337.86Solid ≥98%● In Stock — US Item #: A126209View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(4-chlorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine
- SMILES
- C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl
- InChIKey
- LZMOSYUFVYJEPY-UHFFFAOYSA-N
- InChI
- 1S/C20H20ClN3/c21-19-7-5-18(6-8-19)20(9-11-22-12-10-20)17-3-1-15(2-4-17)16-13-23-24-14-16/h1-8,13-14,22H,9-12H2,(H,23,24)
- Synonyms
- 4-(4-(1H-pyrazol-4-yl)phenyl)-4-(4-chlorophenyl)piperidine | BDBM16219 | CHEBI:82708 | FT-0746989 | PS-3255 | SCHEMBL...
- Rilmenidine hemifumarate● In Stock — US Item #: R288402View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (E)-but-2-enedioic acid;N-(dicyclopropylmethyl)-4,5-dihydro-1,3-oxazol-2-amine
- SMILES
- C1CC1C(C2CC2)NC3=NCCO3.C1CC1C(C2CC2)NC3=NCCO3.C(=CC(=O)O)C(=O)O
- InChIKey
- LZFATBMLSYHRTC-WXXKFALUSA-N
- InChI
- 1S/2C10H16N2O.C4H4O4/c2*1-2-7(1)9(8-3-4-8)12-10-11-5-6-13-10;5-3(6)1-2-4(7)8/h2*7-9H,1-6H2,(H,11,12);1-2H,(H,5,6)(H,7,8)/b;;2-1+
- Synonyms
- BR162477 | NSC 664312 hemifumarate; Oxaminozoline hemifumarate; Rilmenidene hemifumarate;S 3341 hemifumarate | (E)-bu...
- TG101209● In Stock — US Item #: T127523View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-tert-butyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide
- SMILES
- CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)N4CCN(CC4)C
- InChIKey
- JVDOKQYTTYUYDV-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- NCGC00262608-02 | AC-24600 | N-(tert-Butyl)-3-((5-methyl-2-((4-(4-methylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)am...
- ATC 0175 hydrochlorideCAS: 510733-97-8 EC Number: 637-089-6 PubChem CID: 9934032 Formula: C23H25F2N5O•HCl Molecular Weight: 461.94● In Stock — US Item #: A287527View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3,4-difluorobenzamide;hydrochloride
- SMILES
- CN(C)C1=NC(=NC2=CC=CC=C21)NC3CCC(CC3)NC(=O)C4=CC(=C(C=C4)F)F.Cl
- InChIKey
- HUUPKFUYSQNNLO-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- AKOS024457568 | ATC 0175 | ATC-00175 | N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3,4-difluorobenzamid...
- DB07268CAS: 929007-72-7 Formula: C17H15N5O2 Molecular Weight: 321.33● In Stock — US Item #: D126309View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[[2-(3-hydroxyanilino)pyrimidin-4-yl]amino]benzamide
- SMILES
- C1=CC=C(C(=C1)C(=O)N)NC2=NC(=NC=C2)NC3=CC(=CC=C3)O
- InChIKey
- QHPKKGUGRGRSGA-UHFFFAOYSA-N
- InChI
- 1S/C17H15N5O2/c18-16(24)13-6-1-2-7-14(13)21-15-8-9-19-17(22-15)20-11-4-3-5-12(23)10-11/h1-10,23H,(H2,18,24)(H2,19,20,21,22)
- Synonyms
- MFCD26960941 | 2-((2-(3-Hydroxyanilino)pyrimidin-4-yl)amino)benzamide | EX-A2356 | NCGC00378943-01 | AS-56032 | 4-ani...
- 4,4'-Sulfonylbis[2-(2-propen-1-yl)phenol] (TGSH)Solid ≥97%◐ .Made to order · 8–12 wks Item #: T346607View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(4-hydroxy-3-prop-2-enylphenyl)sulfonyl-2-prop-2-enylphenol
- SMILES
- C=CCC1=C(C=CC(=C1)S(=O)(=O)C2=CC(=C(C=C2)O)CC=C)O
- InChIKey
- MTMKZABGIQJAEX-UHFFFAOYSA-N
- InChI
- 1S/C18H18O4S/c1-3-5-13-11-15(7-9-17(13)19)23(21,22)16-8-10-18(20)14(12-16)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2
- Synonyms
- 3-Allyl-4-hydroxyphenyl sulfone | 4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol] | bis(3-allyl-4-hydroxyphenyl)sulfone | ...
- Uridine 5'-diphosphate disodium salt hydrateCAS: 27821-45-0 EC Number: 248-678-9 PubChem CID: 11957711 Formula: C9H12N2Na2O12P2·xH2O Molecular Weight: 448.12 (anhydrous basis)● In Stock — US Item #: U100819View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- disodium;[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] hydrogen phosphate
- SMILES
- C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)[O-])O)O.[Na+].[Na+]
- InChIKey
- ZQKVPFKBNNAXCE-WFIJOQBCSA-L
- InChI
- show more
- Synonyms
- CCG-222509 | UDP disodium salt | AS-12237 | Uridine 5'-diphosphate disodium salt hyd | HMS3263B12 | SCHEMBL1873401 | ...
- A812511CAS: 179985-52-5 Formula: C13H11N3O Molecular Weight: 225.25● In Stock — US Item #: A276159View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-(4-cyano-3-methylisoquinolin-1-yl)acetamide
- SMILES
- CC1=C(C2=CC=CC=C2C(=N1)NC(=O)C)C#N
- InChIKey
- SRNACQXBALMDDC-UHFFFAOYSA-N
- InChI
- 1S/C13H11N3O/c1-8-12(7-14)10-5-3-4-6-11(10)13(15-8)16-9(2)17/h3-6H,1-2H3,(H,15,16,17)
- Synonyms
- N-(4-cyano-3-methylisoquinolin-1-yl)acetamide | PKA-IN-1 | 1-Acetamido-3-methyl-4-cyanosoqinoline
- A 889425◐ .Made to order · 8–12 wks Item #: A275024View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-(3-methylpyridin-2-yl)-1-[4-(trifluoromethylsulfonyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
- SMILES
- CC1=C(N=CC=C1)NC(=O)C2=CCN(CC2)C3=CC=C(C=C3)S(=O)(=O)C(F)(F)F
- InChIKey
- KACDTVMXDRFPPA-UHFFFAOYSA-N
- InChI
- 1S/C19H18F3N3O3S/c1-13-3-2-10-23-17(13)24-18(26)14-8-11-25(12-9-14)15-4-6-16(7-5-15)29(27,28)19(20,21)22/h2-8,10H,9,11-12H2,1H3,(H,23,24,26)
- Synonyms
- N-(3-Methylpyridin-2-yl)-1-[4-(trifluoromethylsulfonyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
- Angiotensin Ⅱ acetateCAS: 4474-91-3(free base) Formula: C50H71N13O12 • x(CH3CO2H) Molecular Weight: 1046.18（free base）Solid 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 #: A354943View ProductPricing & Pack Sizes
Technical Identifiers
- Sodium ferulate● In Stock — US Item #: S334590View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- sodium;(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
- SMILES
- COC1=C(C=CC(=C1)C=CC(=O)[O-])O.[Na+]
- InChIKey
- NCTHNHPAQAVBEB-WGCWOXMQSA-M
- InChI
- 1S/C10H10O4.Na/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13;/h2-6,11H,1H3,(H,12,13);/q;+1/p-1/b5-3+;
- Synonyms
- CHEBI:114954 | ferulic acid sodium | HY-N0060A | Cinnamic acid, 4-hydroxy-3-methoxy-, monosodium salt | s4740 | sodiu...
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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.