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
- KAPA (hydrochloride)CAS: 177408-65-0 Formula: C9H18ClNO3 Molecular Weight: 223.68Solid ≥98%● In Stock — US warehouse, ships to EU* Item #: K333556View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (8S)-8-amino-7-oxononanoic acid;hydrochloride
- SMILES
- CC(C(=O)CCCCCC(=O)O)N.Cl
- InChIKey
- ZGPOLJARQCHVLY-FJXQXJEOSA-N
- InChI
- 1S/C9H17NO3.ClH/c1-7(10)8(11)5-3-2-4-6-9(12)13;/h7H,2-6,10H2,1H3,(H,12,13);1H/t7-;/m0./s1
- Synonyms
- (8S)-8-Amino-7-oxononanoic acid--hydrogen chloride (1/1) | DTXSID00704278 | AKOS015924386 | SR-01000946788 | (S)-8-am...
- Suramin hexasodium salt, Acidic fibroblast growth factor inhibitorSolid 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 warehouse, ships to EU* Item #: S131869View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
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- SMILES
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- InChIKey
- VAPNKLKDKUDFHK-UHFFFAOYSA-H
- InChI
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- Synonyms
- SURAMIN SODIUM [WHO-DD] | EINECS 204-949-3 | Nagananinum | Bayer 205 (TN) | Suramine sodique | AS-81747 | Suramine so...
- Biphenyl-4-carboxylic Acid Ethyl EsterCAS: 6301-56-0 Formula: C15H14O2 Molecular Weight: 226.275● In Stock — US warehouse, ships to EU* Item #: E331008View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- ethyl 4-phenylbenzoate
- SMILES
- CCOC(=O)C1=CC=C(C=C1)C2=CC=CC=C2
- InChIKey
- FFQZMOHAQYZTNR-UHFFFAOYSA-N
- InChI
- 1S/C15H14O2/c1-2-17-15(16)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,2H2,1H3
- Synonyms
- ethyl [1,1'-biphenyl]-4-carboxylate | MFCD00297796 | p-PhenylbenzoesA currencyure-A currencythylester | STK409483 | B...
- Methylprednisolone succinate● In Stock — US warehouse, ships to EU* Item #: M303339View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
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- SMILES
- CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)COC(=O)CCC(=O)O)O
- InChIKey
- IMBXEJJVJRTNOW-XYMSELFBSA-N
- InChI
- show more
- Synonyms
- DTXSID80183466 | METHYLPREDNISOLONE HYDROGEN SUCCINATE [MART.] | methylprednisolone-sodium-succinate | Methylpredniso...
- Suxibuzone● In Stock — US warehouse, ships to EU* Item #: S348158View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[(4-butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)methoxy]-4-oxobutanoic acid
- SMILES
- CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)COC(=O)CCC(=O)O
- InChIKey
- ONWXNHPOAGOMTG-UHFFFAOYSA-N
- InChI
- 1S/C24H26N2O6/c1-2-3-16-24(17-32-21(29)15-14-20(27)28)22(30)25(18-10-6-4-7-11-18)26(23(24)31)19-12-8-5-9-13-19/h4-13H,2-3,14-17H2,1H3,(H,27,28)
- Synonyms
- Suxibuzona [INN-Spanish] | SUXIBUZONE [WHO-DD] | UNII-86TDZ5WP2B | 4-Butyl-4-(hydroxymethyl)-1,2-diphenyl-3,5-pyrazol...
- Ethylenediamine-N,N'-bis(2-hydroxyphenylacetic acid) ferric-sodium complexFe content 6%● In Stock — Germany Item #: E305106View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- sodium;2-[carboxy-[2-[[carboxy-(2-hydroxyphenyl)methyl]amino]ethylamino]methyl]phenolate;iron
- SMILES
- C1=CC=C(C(=C1)C(C(=O)O)NCCNC(C2=CC=CC=C2[O-])C(=O)O)O.[Na+].[Fe]
- InChIKey
- TXJTUGACWVICPL-UHFFFAOYSA-M
- InChI
- show more
- Synonyms
- Sodium ferric EDDHA | MFCD09752833 | AKOS025311546 | AKOS015914147 | Sodium iron(III) EDDHA | F20618
- Org 20599◐ .Made to order · 8–12 wks Item #: O287142View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
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- SMILES
- CC12CCC3C(C1CCC2C(=O)CCl)CCC4C3(CC(C(C4)O)N5CCOCC5)C
- InChIKey
- NZFNABGZEQPYBX-PMBZPZLSSA-N
- InChI
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- Synonyms
- 2-Chloro-1-[(1S,3aS,3bR,5aS,7S,8S,9aS,9bS,11aS)-7-hydroxy-9a,11a-dimethyl-8-(4-morpholinyl)hexadecahydro-1H-cyclopent...
- HydroxyfasudilCAS: 105628-72-6 Formula: C14H17N3O3S Molecular Weight: 307.37● In Stock — US warehouse, ships to EU* Item #: H127222View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-(1,4-diazepan-1-ylsulfonyl)-2H-isoquinolin-1-one
- SMILES
- C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CNC3=O
- InChIKey
- ZAVGJDAFCZAWSZ-UHFFFAOYSA-N
- InChI
- 1S/C14H17N3O3S/c18-14-12-3-1-4-13(11(12)5-7-16-14)21(19,20)17-9-2-6-15-8-10-17/h1,3-5,7,15H,2,6,8-10H2,(H,16,18)
- Synonyms
- BRD-K77793136-003-02-2 | SY345499 | EYH4AU7P63 | AC-36853 | SCHEMBL123699 | Q27095449 | Hydroxyfasudil; HA-1100 | MFC...
- Ethyl diphenylacetateCAS: 3468-99-3 Formula: C16H16O2 Molecular Weight: 240.3● In Stock — US warehouse, ships to EU* Item #: E303498View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- ethyl 2,2-diphenylacetate
- SMILES
- CCOC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2
- InChIKey
- PYPHPZOQIVEWHN-UHFFFAOYSA-N
- InChI
- 1S/C16H16O2/c1-2-18-16(17)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3
- Synonyms
- ethyl (diphenyl)acetate | ethyl (diphenyl)-acetate | AS-65483 | AE-641/01931059 | WQ89QF16O3 | (E)-Ethyl 3-(3-((E)-2-...
- Ethyl α-D-ThioglucopyranosideCAS: 13533-58-9 Formula: C8H16O5S Molecular Weight: 224.27● In Stock — US warehouse, ships to EU* Item #: E302467View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2R,3R,4S,5S,6R)-2-ethylsulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
- SMILES
- CCSC1C(C(C(C(O1)CO)O)O)O
- InChIKey
- CHAHFVCHPSPXOE-JAJWTYFOSA-N
- InChI
- 1S/C8H16O5S/c1-2-14-8-7(12)6(11)5(10)4(3-9)13-8/h4-12H,2-3H2,1H3/t4-,5-,6+,7-,8-/m1/s1
- Synonyms
- Ethyl 1-thio--D-glucopyranoside | MFCD07369395 | 1-(Ethylthio)-1-deoxy-alpha-D-glucopyranose | AKOS040767657 | DTXSID...
- KNK 437 (Heat Shock Protein Inhibitor I)CAS: 218924-25-5 Formula: C13H11NO4 Molecular Weight: 245.23● In Stock — US warehouse, ships to EU* Item #: K276031View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-2-oxopyrrolidine-1-carbaldehyde
- SMILES
- C1CN(C(=O)C1=CC2=CC3=C(C=C2)OCO3)C=O
- InChIKey
- LZGGUFLRKIMBDQ-BJMVGYQFSA-N
- InChI
- 1S/C13H11NO4/c15-7-14-4-3-10(13(14)16)5-9-1-2-11-12(6-9)18-8-17-11/h1-2,5-7H,3-4,8H2/b10-5+
- Synonyms
- (3E)-3-(1,3-Benzodioxol-5-ylmethylidene)-2-oxopyrrolidine-1-carbaldehyde | A899531 | KNK437 | 3-((2H-1,3-BENZODIOXOL-...
- KPT-185CAS: 1333151-73-7 Formula: C16H16F3N3O3 Molecular Weight: 355.31● In Stock — US warehouse, ships to EU* Item #: K129656View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- propan-2-yl (Z)-3-[3-[3-methoxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enoate
- SMILES
- CC(C)OC(=O)C=CN1C=NC(=N1)C2=CC(=CC(=C2)OC)C(F)(F)F
- InChIKey
- NLNGWFLRRRYNIL-PLNGDYQASA-N
- InChI
- 1S/C16H16F3N3O3/c1-10(2)25-14(23)4-5-22-9-20-15(21-22)11-6-12(16(17,18)19)8-13(7-11)24-3/h4-10H,1-3H3/b5-4-
- Synonyms
- KPT185 | KPT 185 | (2Z)-3-[3-[3-Methoxy-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]-2-Propenoic Acid 1-Methylet...
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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.