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 —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
- MIRA-1CAS: 72835-26-8 Formula: C8H9NO4 Molecular Weight: 183.16● In Stock — US warehouse, ships to EU* Item #: M275724View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2,5-dioxopyrrol-1-yl)methyl propanoate
- SMILES
- CCC(=O)OCN1C(=O)C=CC1=O
- InChIKey
- YXEWPGYLMHXLPS-UHFFFAOYSA-N
- InChI
- 1S/C8H9NO4/c1-2-8(12)13-5-9-6(10)3-4-7(9)11/h3-4H,2,5H2,1H3
- Synonyms
- NSC 19630 | MIRA-1 | (2,5-dihydro-1H-pyrrol-1-yl)methyl propionate | BS-45665 | CCG-37541 | NCI19630 | WRN Helicase I...
- MK 0343CAS: 233275-76-8 Formula: C19H17F2N7O Molecular Weight: 397.38Solid ≥99%(HPLC)● In Stock — US warehouse, ships to EU* Item #: M286880View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 7-cyclobutyl-3-(2,6-difluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine
- SMILES
- CN1C(=NC=N1)COC2=NN3C(=NN=C3C4=C(C=CC=C4F)F)C=C2C5CCC5
- InChIKey
- GOIFCXRIFSYPFG-UHFFFAOYSA-N
- InChI
- 1S/C19H17F2N7O/c1-27-16(22-10-23-27)9-29-19-12(11-4-2-5-11)8-15-24-25-18(28(15)26-19)17-13(20)6-3-7-14(17)21/h3,6-8,10-11H,2,4-5,9H2,1H3
- Synonyms
- 7-cyclobutyl-3-(2,6-difluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine | MRK 4...
- Y-27632 dihydrochlorideSolid ≥98%● In Stock — US warehouse, ships to EU* Item #: Y129399View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[(1R)-1-aminoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide;dihydrochloride
- SMILES
- Cl.Cl.C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc2ccncc2
- InChIKey
- IDDDVXIUIXWAGJ-DDSAHXNVSA-N
- InChI
- 1S/C14H21N3O.2ClH/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13;;/h6-12H,2-5,15H2,1H3,(H,16,17,18);2*1H/t10-,11?,12?;;/m1../s1
- Synonyms
- ROCK Inhibitor | CYCLOHEXANECARBOXAMIDE, 4-((1R)-1-AMINOETHYL)-N-4-PYRIDINYL-, HYDROCHLORIDE (1:2), TRANS- | DTXSID90...
- YH 239-EE● In Stock — US warehouse, ships to EU* Item #: Y287733View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- ethyl 3-[2-(tert-butylamino)-1-[(4-chlorophenyl)methyl-formylamino]-2-oxoethyl]-6-chloro-1H-indole-2-carboxylate
- SMILES
- CCOC(=O)C1=C(C2=C(N1)C=C(C=C2)Cl)C(C(=O)NC(C)(C)C)N(CC3=CC=C(C=C3)Cl)C=O
- InChIKey
- OTUBDDRFPQLPKD-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- Ethyl 3-[2-(tert-butylamino)-1-[N-(4-chlorobenzyl)formamido]-2-oxoethyl]-6-chloro-1H-indole-2-carboxylate
- YM-53601● In Stock — US warehouse, ships to EU* Item #: Y332775View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[2-(1-azabicyclo[2.2.2]octan-3-ylidene)-2-fluoroethoxy]-9H-carbazole;hydrochloride
- SMILES
- C1CN2CCC1C(=C(COC3=CC4=C(C=C3)C5=CC=CC=C5N4)F)C2.Cl
- InChIKey
- JWXYVHMBPISIJQ-UHFFFAOYSA-N
- InChI
- 1S/C21H21FN2O.ClH/c22-19(18-12-24-9-7-14(18)8-10-24)13-25-15-5-6-17-16-3-1-2-4-20(16)23-21(17)11-15;/h1-6,11,14,23H,7-10,12-13H2;1H
- Synonyms
- 2-[(2E)-2-(1-azabicyclo[2.2.2]oct-3-ylidene)-2-fluoroethoxy]-9H-carbazole, monohydrochloride
- Trimebutine maleateCAS: 34140-59-5 EC Number: 251-845-9 PubChem CID: 5388977 Formula: C22H29NO5.C4H4O4 Molecular Weight: 503.54● In Stock — US warehouse, ships to EU* Item #: T276098View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (Z)-but-2-enedioic acid;[2-(dimethylamino)-2-phenylbutyl] 3,4,5-trimethoxybenzoate
- SMILES
- CCC(COC(=O)C1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=CC=C2)N(C)C.C(=CC(=O)O)C(=O)O
- InChIKey
- FSRLGULMGJGKGI-BTJKTKAUSA-N
- InChI
- show more
- Synonyms
- Benzoic acid, 3,4,5-trimethoxy-, beta-(dimethylamino)-beta-ethylphenethyl ester, maleate (1:1) | SCHEMBL67225 | (-)-2...
- Trimetazidine● In Stock — US warehouse, ships to EU* Item #: T274859View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-[(2,3,4-trimethoxyphenyl)methyl]piperazine
- SMILES
- COC1=C(C(=C(C=C1)CN2CCNCC2)OC)OC
- InChIKey
- UHWVSEOVJBQKBE-UHFFFAOYSA-N
- InChI
- 1S/C14H22N2O3/c1-17-12-5-4-11(13(18-2)14(12)19-3)10-16-8-6-15-7-9-16/h4-5,15H,6-10H2,1-3H3
- Synonyms
- Piperazine, 1-[(2,3,4-trimethoxyphenyl)methyl]- | TRIMETAZIDINE [INN] | HMS2230L07 | N9A0A0R9S8 | BRD-K88366685-300-0...
- NADP, Disodium SaltCAS: 24292-60-2 EC Number: 246-129-8 PubChem CID: 2734411 Formula: C21H26N7Na2O17P3 Molecular Weight: 787.37Solid ≥97%● In Stock — US warehouse, ships to EU* Item #: N113163View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)OP(=O)([O-])[O-])O)O)O)C(=O)N.[Na+].[Na+]
- InChIKey
- WSDDJLMGYRLUKR-WUEGHLCSSA-L
- InChI
- show more
- Synonyms
- NADP disodium salt | Nadide phosphate disodium | Triphosphopyridine nucleotide disodium salt | NADP | NADP Disodium |...
- NSC-632839CAS: 157654-67-6 Formula: C21H21NO.HCl Molecular Weight: 339.86● In Stock — US warehouse, ships to EU* Item #: N274700View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (3E,5E)-3,5-bis[(4-methylphenyl)methylidene]piperidin-4-one;hydrochloride
- SMILES
- CC1=CC=C(C=C1)C=C2CNCC(=CC3=CC=C(C=C3)C)C2=O.Cl
- InChIKey
- ZOKZLTXPTLIWOJ-BYCVLTJGSA-N
- InChI
- 1S/C21H21NO.ClH/c1-15-3-7-17(8-4-15)11-19-13-22-14-20(21(19)23)12-18-9-5-16(2)6-10-18;/h3-12,22H,13-14H2,1-2H3;1H/b19-11+,20-12+;
- Synonyms
- A926889 | NSC 632839, >=98% (HPLC) | 3,5-Bis(4-methylbenzylidene)piperidin-4-one hydrochloride | BCP28077 | BS-15510 ...
- QVD-OPh● In Stock — US warehouse, ships to EU* Item #: Q275003View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (3S)-5-(2,6-difluorophenoxy)-3-[[(2S)-3-methyl-2-(quinoline-2-carbonylamino)butanoyl]amino]-4-oxopentanoic acid
- SMILES
- CC(C)C(C(=O)NC(CC(=O)O)C(=O)COC1=C(C=CC=C1F)F)NC(=O)C2=NC3=CC=CC=C3C=C2
- InChIKey
- OOBJCYKITXPCNS-REWPJTCUSA-N
- InChI
- show more
- Synonyms
- (3S)-5-(2,6-difluorophenoxy)-3-[[(2S)-3-methyl-2-(quinoline-2-carbonylamino)butanoyl]amino]-4-oxopentanoic acid | (3S...
- QX-222◐ .Made to order · 8–12 wks Item #: Q275161View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [2-(2,6-dimethylanilino)-2-oxoethyl]-trimethylazanium
- SMILES
- CC1=C(C(=CC=C1)C)NC(=O)C[N+](C)(C)C
- InChIKey
- QYUXPWDVDMSTKR-UHFFFAOYSA-O
- InChI
- 1S/C13H20N2O/c1-10-7-6-8-11(2)13(10)14-12(16)9-15(3,4)5/h6-8H,9H2,1-5H3/p+1
- Synonyms
- Lopac-L-1788 | NCGC00015597-01 | QX-222 | Lopac0_000707 | SCHEMBL94463 | CHEBI:92720 | 2-[(2,6-Dimethylphenyl)imino]-...
- Quazinone (Ro 13-6438)◐ .Made to order · 8–12 wks Item #: Q336048View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (3R)-6-chloro-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
- SMILES
- CC1C(=O)NC2=NC3=C(CN12)C(=CC=C3)Cl
- InChIKey
- BHZFZYLBVSWUMT-ZCFIWIBFSA-N
- InChI
- 1S/C11H10ClN3O/c1-6-10(16)14-11-13-9-4-2-3-8(12)7(9)5-15(6)11/h2-4,6H,5H2,1H3,(H,13,14,16)/t6-/m1/s1
- Synonyms
- Quazinona | Ro 13-6438; Ro 13-6438/006 | (3R)-6-chloro-3-methyl-5,10-dihydro-3H-imidazo[2,1-b]quinazolin-2-one | QUAZ...
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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.