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
24,635Navigate 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 (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
102,623Explore 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 (where available)—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
- Sulfo-Cyanine3 carboxylic acid◐ .Made to order · 8–12 wks Item #: S276409View ProductPricing & Pack Sizes
Technical Identifiers
- Sulfo-Cyanine3 maleimide● In Stock — US warehouse, ships to EU* Item #: S276245View ProductPricing & Pack Sizes
Technical Identifiers
- SMILES
- CC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1C=CC=C3C(C4=C(N3CCCCCC(=O)NCCN5C(=O)C=CC5=O)C=CC(=C4)S(=O)(=O)O)(C)C)C)C.[K]
- InChIKey
- QGKZUIHXUDPPJX-UHFFFAOYSA-N
- InChI
- show more
- KC7F2CAS: 927822-86-4 Formula: C16H16Cl4N2O4S4 Molecular Weight: 570.38● In Stock — US warehouse, ships to EU* Item #: K286569View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2,5-dichloro-N-[2-[2-[(2,5-dichlorophenyl)sulfonylamino]ethyldisulfanyl]ethyl]benzenesulfonamide
- SMILES
- C1=CC(=C(C=C1Cl)S(=O)(=O)NCCSSCCNS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl)Cl
- InChIKey
- REQLACDIZMLXIC-UHFFFAOYSA-N
- InChI
- 1S/C16H16Cl4N2O4S4/c17-11-1-3-13(19)15(9-11)29(23,24)21-5-7-27-28-8-6-22-30(25,26)16-10-12(18)2-4-14(16)20/h1-4,9-10,21-22H,5-8H2
- Synonyms
- N,N'-(Dithiodi-2,1-ethanediyl)bis[2,5-dichlorobenzenesulfonamide | N,N'-(Dithiodi-2,1-ethanediyl)bis[2,5-dichloro-ben...
- Succinyl-L-phenylalanine methyl ester● In Stock — US warehouse, ships to EU* Item #: S358504View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
- SMILES
- COC(=O)C(CC1=CC=CC=C1)NC(=O)CCC(=O)O
- InChIKey
- GGESJRPALMOKTL-NSHDSACASA-N
- InChI
- 1S/C14H17NO5/c1-20-14(19)11(9-10-5-3-2-4-6-10)15-12(16)7-8-13(17)18/h2-6,11H,7-9H2,1H3,(H,15,16)(H,17,18)/t11-/m0/s1
- HispolonCAS: 173933-40-9 Formula: C12H12O4 Molecular Weight: 220.2≥98% mixture of cis and trans isomers● In Stock — US warehouse, ships to EU* Item #: H387186View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (3Z,5E)-6-(3,4-dihydroxyphenyl)-4-hydroxyhexa-3,5-dien-2-one
- SMILES
- CC(=O)C=C(C=CC1=CC(=C(C=C1)O)O)O
- InChIKey
- QDVIEIMMEUCFMW-QXYPORFMSA-N
- InChI
- 1S/C12H12O4/c1-8(13)6-10(14)4-2-9-3-5-11(15)12(16)7-9/h2-7,14-16H,1H3/b4-2+,10-6-
- Synonyms
- EX-A4869 | BH171710 | HY-150521 | MS-23223 | E88922 | DTXSID701045719 | Q15634151 | hispolon | SCHEMBL15917284 | (3Z,...
- Histamine-α,α,β,β-d4 DihydrochlorideCAS: 344299-48-5 Formula: C5H7D4Cl2N3 Molecular Weight: 188.09◐ .Made to order · 8–12 wks Item #: H335486View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1,1,2,2-tetradeuterio-2-(1H-imidazol-5-yl)ethanamine
- SMILES
- C1=C(NC=N1)CCN
- InChIKey
- NTYJJOPFIAHURM-LNLMKGTHSA-N
- InChI
- 1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)/i1D2,2D2
- Synonyms
- HISTAMINE-ALPHA,ALPHA,BETA,BETA-D4 2HCL | Peremin-d4 | SCHEMBL8789755 | 1,1,2,2-tetradeuterio-2-(1H-imidazol-5-yl)eth...
- JANEX-1, Tyrosine-protein kinase JAK3 inhibitorCAS: 202475-60-3 Formula: C16H15N3O3 Molecular Weight: 297.31● In Stock — US warehouse, ships to EU* Item #: J126663View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol
- SMILES
- COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)O)OC
- InChIKey
- HOZUXBLMYUPGPZ-UHFFFAOYSA-N
- InChI
- 1S/C16H15N3O3/c1-21-14-7-12-13(8-15(14)22-2)17-9-18-16(12)19-10-3-5-11(20)6-4-10/h3-9,20H,1-2H3,(H,17,18,19)
- Synonyms
- MFCD01862614 | 4-(4'-Hydroxylphenyl)-amino-6,7-dimethoxyquinazoline hydrochloride dihydrate | BDBM50227519 | AC-35236...
- JH-II-127CAS: 1700693-08-8 Formula: C19H21ClN6O3 Molecular Weight: 416.87● In Stock — US warehouse, ships to EU* Item #: J275343View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [4-[[5-chloro-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone
- SMILES
- CNC1=NC(=NC2=C1C(=CN2)Cl)NC3=C(C=C(C=C3)C(=O)N4CCOCC4)OC
- InChIKey
- HUEKBQXFNHWTQQ-UHFFFAOYSA-N
- InChI
- 1S/C19H21ClN6O3/c1-21-16-15-12(20)10-22-17(15)25-19(24-16)23-13-4-3-11(9-14(13)28-2)18(27)26-5-7-29-8-6-26/h3-4,9-10H,5-8H2,1-2H3,(H3,21,22,23,24,25)
- Synonyms
- [4-[[5-Chloro-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone | [4-[[...
- JHU 37152CAS: 2369979-67-7 Formula: C19H20ClFN4 Molecular Weight: 358.85● In Stock — US warehouse, ships to EU* Item #: J287197View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-chloro-6-(4-ethylpiperazin-1-yl)-7-fluoro-11H-benzo[b][1,4]benzodiazepine
- SMILES
- CCN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=C2C(=CC=C4)F
- InChIKey
- NZMZJNNWMSYDNX-UHFFFAOYSA-N
- InChI
- 1S/C19H20ClFN4/c1-2-24-8-10-25(11-9-24)19-18-14(21)4-3-5-16(18)22-15-7-6-13(20)12-17(15)23-19/h3-7,12,22H,2,8-11H2,1H3
- Synonyms
- 8-Chloro-11-(4-ethylpiperazin-1-yl)-1-fluoro-5H-dibenzo[b,e][1,4]diazepine | JHU37152
- Ethyl 4-chloro-2-fluorobenzoateCAS: 4793-20-8 Formula: C9H8ClFO2 Molecular Weight: 202.61● In Stock — US warehouse, ships to EU* Item #: E331014View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- ethyl 4-chloro-2-fluorobenzoate
- SMILES
- CCOC(=O)C1=C(C=C(C=C1)Cl)F
- InChIKey
- MVPSCBLITKTKLF-UHFFFAOYSA-N
- InChI
- 1S/C9H8ClFO2/c1-2-13-9(12)7-4-3-6(10)5-8(7)11/h3-5H,2H2,1H3
- Synonyms
- MFCD03095401 | PS-8180 | Benzoic acid, 4-chloro-2-fluoro-, ethyl ester | 4-chloro-2-fluorobenzoic acid ethyl ester | ...
- JNJ 10191584 maleate (VUF 6002)● In Stock — US warehouse, ships to EU* Item #: J275534View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (Z)-but-2-enedioic acid;(6-chloro-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone
- SMILES
- CN1CCN(CC1)C(=O)C2=NC3=C(N2)C=C(C=C3)Cl.C(=CC(=O)O)C(=O)O
- InChIKey
- KOTJFAYEELTYCZ-BTJKTKAUSA-N
- InChI
- 1S/C13H15ClN4O.C4H4O4/c1-17-4-6-18(7-5-17)13(19)12-15-10-3-2-9(14)8-11(10)16-12;5-3(6)1-2-4(7)8/h2-3,8H,4-7H2,1H3,(H,15,16);1-2H,(H,5,6)(H,7,8)/b;2-1-
- Synonyms
- C13H15ClN4O.C4H4O4 | HMS3413M16 | HB1596 | JNJ10191584 (maleate) | SCHEMBL602941 | JNJ 10191584 maleate salt | HMS367...
- Sulfanilic acidSolid ≥99%● In Stock — Germany Item #: S295058View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-aminobenzenesulfonic acid
- SMILES
- C1=CC(=CC=C1N)S(=O)(=O)O
- InChIKey
- HVBSAKJJOYLTQU-UHFFFAOYSA-N
- InChI
- 1S/C6H7NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H,8,9,10)
- Synonyms
- AI3-15414 | P-SULFANILIC ACID | SULFADIMIDINE IMPURITY F (EP IMPURITY) | Q253746 | Sulfanilic acid, 99.0-100.5%, suit...
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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.