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).
Targets & Pathways
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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 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 to assemble or screen PROTAC designs, with clear identifiers for efficient selection.
By Signaling Pathways
102,620Explore 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)
19,695Find 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
- 2-(5-bromopyridin-2-yl)-2,2-difluoroethan-1-olCAS: 1236001-15-2 Formula: C7H6BrF2NO Molecular Weight: 238.03◐ .Made to order · 8–12 wks Item #: B302274View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(5-bromopyridin-2-yl)-2,2-difluoroethanol
- SMILES
- C1=CC(=NC=C1Br)C(CO)(F)F
- InChIKey
- GOFUGGMMYAMTII-UHFFFAOYSA-N
- InChI
- 1S/C7H6BrF2NO/c8-5-1-2-6(11-3-5)7(9,10)4-12/h1-3,12H,4H2
- 2-(Pyridyldithio)ethylamine hydrochlorideCAS: 106139-15-5 Formula: C7H11ClN2S2 Molecular Weight: 222.76● In Stock — US Item #: P302155View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(pyridin-2-yldisulfanyl)ethanamine;hydrochloride
- SMILES
- C1=CC=NC(=C1)SSCCN.Cl
- InChIKey
- SEKLFMRSNLFPRB-UHFFFAOYSA-N
- InChI
- 1S/C7H10N2S2.ClH/c8-4-6-10-11-7-3-1-2-5-9-7;/h1-3,5H,4,6,8H2;1H
- 4-(2-Aminoethyl)benzenesulfonyl fluoride hydrochloride(AEBSF)CAS: 30827-99-7 EC Number: 608-547-2 PubChem CID: 186136 Formula: C8H10FNO2S · HCl Molecular Weight: 239.69Solid ≥98%● In Stock — US Item #: A109762View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(2-aminoethyl)benzenesulfonyl fluoride;hydrochloride
- SMILES
- C1=CC(=CC=C1CCN)S(=O)(=O)F.Cl
- InChIKey
- WRDABNWSWOHGMS-UHFFFAOYSA-N
- InChI
- 1S/C8H10FNO2S.ClH/c9-13(11,12)8-3-1-7(2-4-8)5-6-10;/h1-4H,5-6,10H2;1H
- Synonyms
- Benzenesulfonyl fluoride, 4-(2-aminoethyl)-, hydrochloride | DHA6VL95HL | 4-(2-aminoethyl)benzenesulfonyl fluoride hy...
- 3-Methyl-GABACAS: 1216629-00-3 Formula: C₅H₁₁NO₂ Molecular Weight: 522.58◐ .Made to order · 8–12 wks Item #: M288744View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [7-chloro-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-yl]methanamine
- SMILES
- C1C(NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CN
- InChIKey
- LSQOUBKWMBDIPL-UHFFFAOYSA-N
- InChI
- 1S/C16H15ClFN3/c17-10-5-6-15-13(7-10)16(20-9-11(8-19)21-15)12-3-1-2-4-14(12)18/h1-7,11,21H,8-9,19H2
- Synonyms
- Midazolam Imp. E (EP); 1H-1,4-Benzodiazepine-2-methanamine, 7-chloro-5-(2-fluorophenyl)-2,3-dihydro-; [(2RS)-7-Chloro...
- (S)-Amlodipine● In Stock — US Item #: A337614View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-O-ethyl 5-O-methyl (4S)-2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
- SMILES
- CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN
- InChIKey
- HTIQEAQVCYTUBX-KRWDZBQOSA-N
- InChI
- 1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3/t17-/m0/s1
- Synonyms
- Amlodipine, (s)- | DTXSID50904504 | 0P6NLP6806 | 3,5-Pyridinedicarboxylic acid, 2-[(2-aminoethoxy)methyl]-4-(2-chloro...
- 5-Iodo-A-85380 dihydrochloride◐ .Made to order · 8–12 wks Item #: I287774View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-[[(2S)-azetidin-2-yl]methoxy]-5-iodopyridine;dihydrochloride
- SMILES
- C1CNC1COC2=CC(=CN=C2)I.Cl.Cl
- InChIKey
- ZJVVFYWEBSHGBV-JZGIKJSDSA-N
- InChI
- 1S/C9H11IN2O.2ClH/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8;;/h3-5,8,12H,1-2,6H2;2*1H/t8-;;/m0../s1
- Synonyms
- 5-Iodo-A-85380 dihydrochloride | 3-[[(2S)-azetidin-2-yl]methoxy]-5-iodopyridine;dihydrochloride | SR-01000597948-1 | ...
- 3-Hydroxynonanoic acidCAS: 88930-09-0 Formula: C9H18O3 Molecular Weight: 174.24● In Stock — US Item #: H275671View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-hydroxynonanoic acid
- SMILES
- CCCCCCC(CC(=O)O)O
- InChIKey
- XBUXARJOYUQNTC-UHFFFAOYSA-N
- InChI
- 1S/C9H18O3/c1-2-3-4-5-6-8(10)7-9(11)12/h8,10H,2-7H2,1H3,(H,11,12)
- Synonyms
- Nonanoic acid, 3-hydroxy-, (A+/-)- | A824951 | Methyl4-oxo-3-piperidinecarboxylate HCL | CHEBI:156185 | 9:0(3-OH) | D...
- 4-Hydroxy-2-oxopyrrolidine-N-acetamideCAS: 62613-82-5 Formula: C6H10N2O3 Molecular Weight: 158.16● In Stock — US Item #: H122344View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetamide
- SMILES
- C1C(CN(C1=O)CC(=O)N)O
- InChIKey
- IHLAQQPQKRMGSS-UHFFFAOYSA-N
- InChI
- 1S/C6H10N2O3/c7-5(10)3-8-2-4(9)1-6(8)11/h4,9H,1-3H2,(H2,7,10)
- Synonyms
- 4-Hydroxy-2-oxopyrrolidine-N-acetamide | CHEBI:134788 | HMS3885B17 | ISF2522 | ISF-2522 | Oxiracetam(Random Configura...
- (S)-(-)-HA-966◐ .Made to order · 8–12 wks Item #: S287240View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (3S)-3-amino-1-hydroxypyrrolidin-2-one
- SMILES
- C1CN(C(=O)C1N)O
- InChIKey
- HCKUBNLZMKAEIN-VKHMYHEASA-N
- InChI
- 1S/C4H8N2O2/c5-3-1-2-6(8)4(3)7/h3,8H,1-2,5H2/t3-/m0/s1
- Synonyms
- D05746 | 3C1G86U80C | HY-100822A | AKOS024457304 | J-002639 | SR-01000597726 | (3S)-3-amino-1-hydroxypyrrolidin-2-one...
- Kasugamycin hydrochloride hydrateSolid 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 #: K331352View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-amino-2-[(2R,3S,5S,6R)-5-amino-2-methyl-6-[(2S,3S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]iminoacetic acid;hydrate;hydrochloride
- SMILES
- CC1C(CC(C(O1)OC2C(C(C(C(C2O)O)O)O)O)N)N=C(C(=O)O)N.O.Cl
- InChIKey
- URDOPMVCASNBEZ-VHRLMMNYSA-N
- InChI
- show more
- Synonyms
- Kasugamycin (hydrochloride hydrate) | D-Chiro-inositol, 3-O-(2-amino-4-((carboxyiminomethyl)amino)-2,3,4,6-tetradeoxy...
- rac Ketorolac-d4CAS: 1216451-53-4 Formula: C15H9D4NO3 Molecular Weight: 259.29◐ .Made to order · 8–12 wks Item #: R381669View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-benzoyl-2,2,3,3-tetradeuterio-1H-pyrrolizine-1-carboxylic acid
- SMILES
- C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)O
- InChIKey
- OZWKMVRBQXNZKK-LZMSFWOYSA-N
- InChI
- 1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)/i8D2,9D2
- Synonyms
- HY-B0580S1 | Ketorolac D4 | 5-benzoyl-2,3-dihydro(2,2,3,3-?H?)-1H-pyrrolizine-1-carboxylic acid | 1216451-53-4 | 5-be...
- 3-Hydroxytridecanoic acidCAS: 32602-69-0 Formula: C13H26O3 Molecular Weight: 230.34● In Stock — US Item #: H276461View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-hydroxytridecanoic acid
- SMILES
- CCCCCCCCCCC(CC(=O)O)O
- InChIKey
- CWSNHZHHWHLJIM-UHFFFAOYSA-N
- InChI
- 1S/C13H26O3/c1-2-3-4-5-6-7-8-9-10-12(14)11-13(15)16/h12,14H,2-11H2,1H3,(H,15,16)
- Synonyms
- DTXSID10954328 | 3-HYDROXYTRIDECANOICACID | PD060891 | 3-hydroxytridecanoic acid | 3-hydroxy-tridecanoic acid | LMFA0...
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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.