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
24,672Navigate 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
102,686Explore 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)
19,733Find 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)
8,799Shop 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
- 1H-Imidazol-5-amine hydrochloride◐ .Made to order · 8–12 wks Item #: H302313View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1H-imidazol-5-amine;hydrochloride
- SMILES
- C1=C(NC=N1)N.Cl
- InChIKey
- MEORCLTVBRRJIK-UHFFFAOYSA-N
- InChI
- 1S/C3H5N3.ClH/c4-3-1-5-2-6-3;/h1-2H,4H2,(H,5,6);1H
- Synonyms
- 1H-imidazol-5-amine hydrochloride|1261268-96-5|1H-Imidazol-4-amine hydrochloride|1H-imidazol-5-amine;hydrochloride|4-...
- Octahydro-2H-benzimidazole-2-thione(mixture of isomers)● In Stock — US warehouse, ships to EU* Item #: O357074View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1,3,3a,4,5,6,7,7a-octahydrobenzimidazole-2-thione
- SMILES
- C1CCC2C(C1)NC(=S)N2
- InChIKey
- INYFNNKRGLROQV-UHFFFAOYSA-N
- InChI
- 1S/C7H12N2S/c10-7-8-5-3-1-2-4-6(5)9-7/h5-6H,1-4H2,(H2,8,9,10)
- Synonyms
- STK501259 | HMS3359N08 | AKOS030260869 | SCHEMBL7487437 | Octahydro-2H-benzimidazole-2-thione | Octahydrobenzoimidazo...
- 2,6-Dichloropurine ribosideCAS: 13276-52-3 Formula: C10H10Cl2N4O4 Molecular Weight: 321.12Solid ≥98%◐ .Made to order · 8–12 wks Item #: D357497View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2R,3R,4S,5R)-2-(2,6-dichloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
- SMILES
- C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(N=C2Cl)Cl
- InChIKey
- HJXWZGVMHDPCRS-UUOKFMHZSA-N
- InChI
- 1S/C10H10Cl2N4O4/c11-7-4-8(15-10(12)14-7)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2/t3-,5-,6-,9-/m1/s1
- Synonyms
- 2,6-Dichloropurine-9-β-D-riboside | 2,6-Dichloro-9-(β-D-ribofuranosyl)-9H-purine | (2R,3R,4S,5R)-2-(2,6-Dichloro-9H-p...
- 2,6-bis[4-(diphenylamino)phenyl]- 9,10-AnthracenedioneCAS: 1640978-33-1 Formula: C50H34N2O2 Molecular Weight: 694.82Sublimed grade ? Sublimed grade — purified by sublimation, giving very low non-volatile impurities. Use for electronics and applications needing high chemical purity. ≥99%● In Stock — US warehouse, ships to EU* Item #: A305102View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2,6-bis[4-(N-phenylanilino)phenyl]anthracene-9,10-dione
- SMILES
- C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC5=C(C=C4)C(=O)C6=C(C5=O)C=CC(=C6)C7=CC=C(C=C7)N(C8=CC=CC=C8)C9=CC=CC=C9
- InChIKey
- NFOXDINRRDSYIP-UHFFFAOYSA-N
- InChI
- show more
- 2-(1-Pyrazolyl)benzoic AcidCAS: 55317-53-8 Formula: C10H8N2O2 Molecular Weight: 188.19◐ .Made to order · 8–12 wks Item #: D303969View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-pyrazol-1-ylbenzoic acid
- SMILES
- C1=CC=C(C(=C1)C(=O)O)N2C=CC=N2
- InChIKey
- MHACZVWKWUMHRR-UHFFFAOYSA-N
- InChI
- 1S/C10H8N2O2/c13-10(14)8-4-1-2-5-9(8)12-7-3-6-11-12/h1-7H,(H,13,14)
- Synonyms
- 2-(1H-pyrazol-1-yl)benzoic acid|55317-53-8|2-pyrazol-1-ylbenzoic Acid|2-(1-pyrazolyl)benzoic acid|2-(pyrazol-1-yl)ben...
- SSR 69071◐ .Made to order · 8–12 wks Item #: S287419View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 6-methoxy-1,1-dioxo-2-[[4-oxo-9-(2-piperidin-1-ylethoxy)pyrido[1,2-a]pyrimidin-2-yl]oxymethyl]-4-propan-2-yl-1,2-benzothiazol-3-one
- SMILES
- CC(C)C1=C2C(=CC(=C1)OC)S(=O)(=O)N(C2=O)COC3=CC(=O)N4C=CC=C(C4=N3)OCCN5CCCCC5
- InChIKey
- DRZXDZYWZSKFDL-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- 2-(4-Isopropyl-6-methoxy-1,1,3-trioxo-1,3-dihydro-1lambda*6*-benzo[d]isothiazol-2-ylmethoxy)-9-(2-piperidin-1-yl-etho...
- 2-(4'-bromo-[1,1'-biphenyl]-4-yl)-2,2-difluoroethan-1-olCAS: 1296274-23-1 Formula: C14H11BrF2O Molecular Weight: 313.14◐ .Made to order · 8–12 wks Item #: B302336View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[4-(4-bromophenyl)phenyl]-2,2-difluoroethanol
- SMILES
- C1=CC(=CC=C1C2=CC=C(C=C2)Br)C(CO)(F)F
- InChIKey
- BAISYJHVGJZNAR-UHFFFAOYSA-N
- InChI
- 1S/C14H11BrF2O/c15-13-7-3-11(4-8-13)10-1-5-12(6-2-10)14(16,17)9-18/h1-8,18H,9H2
- 2-(Methylsulfonyl)benzaldehydeCAS: 5395-89-1 Formula: C8H8O3S Molecular Weight: 184.21Solid ≥97%● In Stock — US warehouse, ships to EU* Item #: D303932View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-methylsulfonylbenzaldehyde
- SMILES
- CS(=O)(=O)C1=CC=CC=C1C=O
- InChIKey
- HFOCAQPWSXBFFN-UHFFFAOYSA-N
- InChI
- 1S/C8H8O3S/c1-12(10,11)8-5-3-2-4-7(8)6-9/h2-6H,1H3
- Synonyms
- 2-methylsulfonylbenzaldehyde | AKOS006308932 | PD195054 | NSC3012 | NSC-3012 | methanesulfonyl benzaldehyde | 2-(Meth...
- 2-(Pyridin-3-yl)benzaldehyde● In Stock — US warehouse, ships to EU* Item #: P305199View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-pyridin-3-ylbenzaldehyde
- SMILES
- C1=CC=C(C(=C1)C=O)C2=CN=CC=C2
- InChIKey
- DTUANRRVVJRTJS-UHFFFAOYSA-N
- InChI
- 1S/C12H9NO/c14-9-11-4-1-2-6-12(11)10-5-3-7-13-8-10/h1-9H
- Synonyms
- W-206240 | 2-(Pyridin-3-Yl)Benzaldehyde | FT-0643709 | InChI=1/C12H9NO/c14-9-11-4-1-2-6-12(11)10-5-3-7-13-8-10/h1-9H ...
- Oleic Acid-d17CAS: 223487-44-3 Formula: C18H17D17O2 Molecular Weight: 299.57≥99% deuterated forms(d1-d17) 5mg/mL in methyl acetate◐ .Made to order · 8–12 wks Item #: O356666View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (Z)-11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-heptadecadeuteriooctadec-9-enoic acid
- SMILES
- CCCCCCCCC=CCCCCCCCC(=O)O
- InChIKey
- ZQPPMHVWECSIRJ-DUGYPAGXSA-N
- InChI
- 1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2
- Synonyms
- (9Z)-(11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-~2~H_17_)Octadec-9-enoic acid | (9Z)-(11,11,12,12,13,13,14,1...
- CatharanthineCAS: 2468-21-5 EC Number: 219-586-6 PubChem CID: 5458190 Formula: C21H24N2O2 Molecular Weight: 336.43Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. ≥98%● In Stock — US warehouse, ships to EU* Item #: V107317View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- methyl (1R,15R,18R)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8,16-pentaene-1-carboxylate
- SMILES
- CCC1=CC2CC3(C1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC
- InChIKey
- CMKFQVZJOWHHDV-NQZBTDCJSA-N
- InChI
- show more
- Synonyms
- 7-Ethyl-9,10,12,13-tetrahydro-6,9-methano-5H-pyrido[1',2':1,2]azepino[4,5-b]indole-6(6aH)-carboxylic acid methyl este...
- Peptide 5 trifluoroacetate saltCAS: 916977-43-0(free base) PubChem CID: 90693053 Formula: C60H98N16O20S(free base) Molecular Weight: 1395.59(free base)● In Stock — US warehouse, ships to EU* Item #: P287931View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- show more
- InChIKey
- RJEAEIUDNCLZNN-VUZGFOMDSA-N
- InChI
- show more
![2,6-bis[4-(diphenylamino)phenyl]- 9,10-Anthracenedione - sublimed grade, ≥99% CAS No(1640978-33-1) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/A/3/A305102.png)
![2-(4'-bromo-[1,1'-biphenyl]-4-yl)-2,2-difluoroethan-1-ol - ≥98% CAS No(1296274-23-1) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/B/3/B302336.png)
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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.