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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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
102,635Explore 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)
19,700Find 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
- Sulfamethoxazole sodiumBioReagent ? BioReagent grade — tested suitable for life-science and molecular-biology use. Use for cell culture, assays, and biochemical work needing biological compatibility.● In Stock — US warehouse, ships to EU* Item #: S303755View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- sodium;(4-aminophenyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)azanide
- SMILES
- CC1=CC(=NO1)[N-]S(=O)(=O)C2=CC=C(C=C2)N.[Na+]
- InChIKey
- LARLNXOUTTUXPN-UHFFFAOYSA-N
- InChI
- 1S/C10H10N3O3S.Na/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9;/h2-6H,11H2,1H3;/q-1;+1
- Synonyms
- PJ0X8H59AI | CCG-267199 | EINECS 224-939-2 | HY-B0322A | MFCD23115453 | Sodium sulfamethoxazole | UNII-PJ0X8H59AI | s...
- BML 284CAS: 853220-52-7 Formula: C19H18N4O3 Molecular Weight: 350.4Solid ≥98%● In Stock — US warehouse, ships to EU* Item #: B275178View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-N-(1,3-benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)pyrimidine-2,4-diamine
- SMILES
- COC1=CC=CC(=C1)C2=CC(=NC(=N2)N)NCC3=CC4=C(C=C3)OCO4
- InChIKey
- FABQUVYDAXWUQP-UHFFFAOYSA-N
- InChI
- 1S/C19H18N4O3/c1-24-14-4-2-3-13(8-14)15-9-18(23-19(20)22-15)21-10-12-5-6-16-17(7-12)26-11-25-16/h2-9H,10-11H2,1H3,(H3,20,21,22,23)
- Synonyms
- N4-(Benzo[d][1,3]dioxol-5-ylmethyl)-6-(3-methoxyphenyl)pyrimidine-2,4-diamine | BCP17186 | N4-[(2H-1,3-benzodioxol-5-...
- ElasninCAS: 68112-21-0 Formula: C24H40O4 Molecular Weight: 392.57◐ .Made to order · 8–12 wks Item #: E337445View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3,5-dibutyl-4-hydroxy-6-(6-oxoundecan-5-yl)pyran-2-one
- SMILES
- CCCCCC(=O)C(CCCC)C1=C(C(=C(C(=O)O1)CCCC)O)CCCC
- InChIKey
- SNSPVFCYLPZTRZ-UHFFFAOYSA-N
- InChI
- 1S/C24H40O4/c1-5-9-13-17-21(25)18(14-10-6-2)23-19(15-11-7-3)22(26)20(16-12-8-4)24(27)28-23/h18,26H,5-17H2,1-4H3
- Synonyms
- 3,5-Dibutyl-4-hydroxy-6-(6-oxoundecan-5-yl)-2H-pyran-2-one | 3,5-dibutyl-2-hydroxy-6-(6-oxoundecan-5-yl)-4h-pyran-4-o...
- Isobutyl ValerateCAS: 10588-10-0 Formula: C9H18O2 Molecular Weight: 158.24● In Stock — US warehouse, ships to EU* Item #: I302149View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-methylpropyl pentanoate
- SMILES
- CCCCC(=O)OCC(C)C
- InChIKey
- ADNADZOSMJDVIS-UHFFFAOYSA-N
- InChI
- 1S/C9H18O2/c1-4-5-6-9(10)11-7-8(2)3/h8H,4-7H2,1-3H3
- Synonyms
- Isobutyl valerate|10588-10-0|Isobutyl pentanoate|Pentanoic acid, 2-methylpropyl ester|2-methylpropyl pentanoate|Valer...
- Pyridoxatin◐ .Made to order · 8–12 wks Item #: P275427View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-[(1S,2R,4S,6R)-2-ethenyl-4,6-dimethylcyclohexyl]-1,4-dihydroxypyridin-2-one
- SMILES
- CC1CC(C(C(C1)C=C)C2=C(C=CN(C2=O)O)O)C
- InChIKey
- OQJADHLOEAOIGC-NOHGZBONSA-N
- InChI
- 1S/C15H21NO3/c1-4-11-8-9(2)7-10(3)13(11)14-12(17)5-6-16(19)15(14)18/h4-6,9-11,13,17,19H,1,7-8H2,2-3H3/t9-,10+,11-,13-/m0/s1
- Synonyms
- 3-[(1S,2R,4S,6R)-6-ethenyl-2,4-dimethylcyclohexyl]-1,4-dihydroxypyridin-2(1H)-one | Pyridoxatine | DTXSID70159458 | t...
- Pyrimidin-2-ol● In Stock — US warehouse, ships to EU* Item #: P303873View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1H-pyrimidin-2-one
- SMILES
- C1=CNC(=O)N=C1
- InChIKey
- VTGOHKSTWXHQJK-UHFFFAOYSA-N
- InChI
- 1S/C4H4N2O/c7-4-5-2-1-3-6-4/h1-3H,(H,5,6,7)
- Synonyms
- GS-6298 | 2-Pyrimidinol; | A830762 | AKOS016028433 | 1H-Pyrimidin-2-one | 2-pyrimidone | 2-Pyrimidinol # | (1H)-pyrim...
- Fructose-asparagine (mixture of diastereomers)Solid ≥95%● In Stock — US warehouse, ships to EU* Item #: F276514View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2R)-4-amino-4-oxo-2-[[(3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylamino]butanoic acid
- SMILES
- C1C(C(C(C(O1)(CNC(CC(=O)N)C(=O)O)O)O)O)O
- InChIKey
- AOBQWGHMIKNEHI-CWOUCCJVSA-N
- InChI
- 1S/C10H18N2O8/c11-6(14)1-4(9(17)18)12-3-10(19)8(16)7(15)5(13)2-20-10/h4-5,7-8,12-13,15-16,19H,1-3H2,(H2,11,14)(H,17,18)/t4-,5-,7-,8+,10?/m1/s1
- Synonyms
- (2R)-3-CARBAMOYL-2-({[(3S,4R,5R)-2,3,4,5-TETRAHYDROXYOXAN-2-YL]METHYL}AMINO)PROPANOIC ACID | (2R)-4-amino-4-oxo-2-[[(...
- Q-IETD-OPh◐ .Made to order · 8–12 wks Item #: Q275574View ProductPricing & Pack Sizes
Technical Identifiers
- ElaiophylinCAS: 37318-06-2 Formula: C54H88O18 Molecular Weight: 1025.27◐ .Made to order · 8–12 wks Item #: E129956View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CCC1C(OC(CC1OC2CC(C(C(O2)C)O)O)(C(C)C(C(C)C3C(C=CC=CC(=O)OC(C(C=CC=CC(=O)O3)C)C(C)C(C(C)C4(CC(C(C(O4)C)CC)OC5CC(C(C(O5)C)O)O)O)O)C)O)O)C
- InChIKey
- OSERMIPXNLXAPD-MJMYBOKFSA-N
- InChI
- show more
- Synonyms
- Antibiotic 5001B | Azalomycin-B | EX-A3078 | Antibiotic 56-62 | Azalomycin B | (3E,5E,7S,8S,11E,13E,15S,16S)-8,16-bis...
- BML-111CAS: 78606-80-1 Formula: C8H16O5 Molecular Weight: 192.21● In Stock — US warehouse, ships to EU* Item #: B275310View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- methyl (5S,6R)-5,6,7-trihydroxyheptanoate
- SMILES
- COC(=O)CCCC(C(CO)O)O
- InChIKey
- RNMFWAFZUNVQOR-NKWVEPMBSA-N
- InChI
- 1S/C8H16O5/c1-13-8(12)4-2-3-6(10)7(11)5-9/h6-7,9-11H,2-5H2,1H3/t6-,7+/m0/s1
- Synonyms
- 5(S),6(R),7-Trihydroxyheptanoicacidmethylester
- Isobutyric-d6 AcidCAS: 29054-08-8 Formula: C4H2D6O2 Molecular Weight: 94.14● In Stock — US warehouse, ships to EU* Item #: I303334View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3,3,3-trideuterio-2-(trideuteriomethyl)propanoic acid
- SMILES
- CC(C)C(=O)O
- InChIKey
- KQNPFQTWMSNSAP-WFGJKAKNSA-N
- InChI
- 1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)/i1D3,2D3
- Synonyms
- D98851 | 2-(Methyl-d2)propanoic-2,3,3,3-d4 acid | A935635 | DTXSID60482005 | 2-methyl-d3-propionic-3,3,3-d3 acid | 3,...
- Pyrintegrin◐ .Made to order · 8–12 wks Item #: P276157View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- N-(Cyclopropylmethyl)-4-(4-(6-hydroxy-3,4-dihydroquinolin-1-(2H)-yl)pyrimidin-2-ylamino)benzenesulfonamide
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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.