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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Ligand families
24,672Navigate 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
102,686Explore 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)
19,733Find 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)
8,799Shop 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
- NBC 6◐ .Made to order · 8–12 wks Item #: N288259View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-[6-amino-2,2-diphenyl-4-(trichloromethyl)-1-oxa-3-azonia-2-boranuidacyclohexa-3,5-dien-5-yl]ethanone
- SMILES
- [B-]1([NH+]=C(C(=C(O1)N)C(=O)C)C(Cl)(Cl)Cl)(C2=CC=CC=C2)C3=CC=CC=C3
- InChIKey
- VKECODDKRKQJNM-UHFFFAOYSA-N
- InChI
- 1S/C18H16BCl3N2O2/c1-12(25)15-16(18(20,21)22)24-19(26-17(15)23,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,24H,23H2,1H3
- Synonyms
- (T4)-[2-Acetyl-4,4,4-trichloro-3-(imino-κN)butanamidito-κO]diphenylboron
- NBI 27914 hydrochlorideCAS: 1215766-76-9 Formula: C18H21Cl5N4 Molecular Weight: 470.66Solid ≥98%● In Stock — US Item #: N286821View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-chloro-4-N-(cyclopropylmethyl)-2-methyl-4-N-propyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine;hydrochloride
- SMILES
- CCCN(CC1CC1)C2=NC(=NC(=C2Cl)NC3=C(C=C(C=C3Cl)Cl)Cl)C.Cl
- InChIKey
- CPMGENCTAWBLNW-UHFFFAOYSA-N
- InChI
- 1S/C18H20Cl4N4.ClH/c1-3-6-26(9-11-4-5-11)18-15(22)17(23-10(2)24-18)25-16-13(20)7-12(19)8-14(16)21;/h7-8,11H,3-6,9H2,1-2H3,(H,23,24,25);1H
- Synonyms
- 5-chloro-4-N-(cyclopropylmethyl)-2-methyl-4-N-propyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine;hydrochloride
- Bisindolylmaleimide IIICAS: 137592-43-9 Formula: C23H20N4O2 Molecular Weight: 384.43● In Stock — US Item #: B276080View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-[1-(3-aminopropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
- SMILES
- C1=CC=C2C(=C1)C(=CN2)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCN
- InChIKey
- APYXQTXFRIDSGE-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- 3-[1-(3-Aminopropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
- Bisindolylmaleimide VCAS: 113963-68-1 Formula: C21H15N3O2 Molecular Weight: 341.4Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%◐ .Made to order · 8–12 wks Item #: B179557View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-dione
- SMILES
- CN1C(=O)C(=C(C1=O)C2=CNC3=CC=CC=C32)C4=CNC5=CC=CC=C54
- InChIKey
- SWAWYMIKGOHZMR-UHFFFAOYSA-N
- InChI
- 1S/C21H15N3O2/c1-24-20(25)18(14-10-22-16-8-4-2-6-12(14)16)19(21(24)26)15-11-23-17-9-5-3-7-13(15)17/h2-11,22-23H,1H3
- Synonyms
- 3,4-bis(1H-indol-3-yl)-1-methyl-pyrrole-2,5-dione | 3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-dione | AKOS015920082 ...
- Bisindolylmaleimide VIICAS: 137592-47-3 Formula: C27H27N5O2 Molecular Weight: 453.54◐ .Made to order · 8–12 wks Item #: B339030View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-(1H-indol-3-yl)-4-[1-(3-piperazin-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione
- SMILES
- C1CN(CCN1)CCCN2C=C(C3=CC=CC=C32)C4=C(C(=O)NC4=O)C5=CNC6=CC=CC=C65
- InChIKey
- VKLVUAHQOFDKLR-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- 3-(1H-indol-3-yl)-4-[1-(3-piperazin-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione | DTXSID40274364 | SCHEMBL7978092 | Bisin...
- Bisphenol A Bis(diphenyl phosphate)CAS: 5945-33-5 Formula: C39H34O8P2 Molecular Weight: 692.6380-100%● In Stock — US Item #: B304092View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [4-[2-(4-diphenoxyphosphoryloxyphenyl)propan-2-yl]phenyl] diphenyl phosphate
- SMILES
- CC(C)(C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)C4=CC=C(C=C4)OP(=O)(OC5=CC=CC=C5)OC6=CC=CC=C6
- InChIKey
- BQPNUOYXSVUVMY-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- SCHEMBL218852 | Bisphenol A tetraphenyl diphosphate | MFCD09753077 | DTXSID8052720 | Phosphoric acid, P,P'-((1-methyl...
- N6-Carbobenzoxy-L-lysine N-CarboxyanhydrideCAS: 1676-86-4 Formula: C15H18N2O5 Molecular Weight: 306.31◐ .Made to order · 8–12 wks Item #: N305126View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- benzyl N-[4-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]butyl]carbamate
- SMILES
- C1=CC=C(C=C1)COC(=O)NCCCCC2C(=O)OC(=O)N2
- InChIKey
- HLLIDIRDRPSCHN-LBPRGKRZSA-N
- InChI
- 1S/C15H18N2O5/c18-13-12(17-15(20)22-13)8-4-5-9-16-14(19)21-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,16,19)(H,17,20)/t12-/m0/s1
- Synonyms
- SCHEMBL7252817 | HY-W092115 | AKOS027322593 | Benzyl {4-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]butyl}carbamate | BENZYL ...
- Zosuquidar trihydrochloride● In Stock — US Item #: L126616View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- C1CN(CCN1CC(COC2=CC=CC3=C2C=CC=N3)O)C4C5=CC=CC=C5C6C(C6(F)F)C7=CC=CC=C47.Cl.Cl.Cl
- InChIKey
- ZPFVQKPWGDRLHL-ZLYBXYBFSA-N
- InChI
- show more
- Synonyms
- ZOSUQUIDAR TRIHYDROCHLORIDE [MI] | Tox21_113964 | Zosuquidar Trihydrochloride [USAN] | LY335979 trihydrochloride | LY...
- Zoniporide dihydrochloride◐ .Made to order · 8–12 wks Item #: Z287415View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-cyclopropyl-N-(diaminomethylidene)-1-quinolin-5-ylpyrazole-4-carboxamide;dihydrochloride
- SMILES
- C1CC1C2=C(C=NN2C3=CC=CC4=C3C=CC=N4)C(=O)N=C(N)N.Cl.Cl
- InChIKey
- ARZNPJAGKWHEHT-UHFFFAOYSA-N
- InChI
- 1S/C17H16N6O.2ClH/c18-17(19)22-16(24)12-9-21-23(15(12)10-6-7-10)14-5-1-4-13-11(14)3-2-8-20-13;;/h1-5,8-10H,6-7H2,(H4,18,19,22,24);2*1H
- Synonyms
- CP 597396 | [1-(Quinolin-5-yl)-5-cyclopropyl-1H-pyrazole-4-carbonyl]guanidine dihydrochloride
- Bisoprolol hemifumarate salt, Beta-1 adrenergic receptor antagonistCAS: 104344-23-2 EC Number: 600-557-5 PubChem CID: 5281064 Formula: C18H31NO4·0.5C4H4O4 Molecular Weight: 383.48● In Stock — US Item #: B124795View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (E)-but-2-enedioic acid;1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-ol
- SMILES
- CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O.CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O.C(=CC(=O)O)C(=O)O
- InChIKey
- VMDFASMUILANOL-WXXKFALUSA-N
- InChI
- show more
- Synonyms
- BB164256 | Maintate | Godal | BISOPROLOL FUMARATE [VANDF] | EMD 33512 | BISOPROLOL FUMARATE [USP MONOGRAPH] | BISOPRO...
- Cytidine 5′-triphosphate disodium saltCAS: 36051-68-0 EC Number: 252-849-3 PubChem CID: 16219084 Formula: C9H14N3Na2O14P3 Molecular Weight: 527.12Solid ≥95%● In Stock — US Item #: C101487View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- disodium;[[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
- SMILES
- C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OP(=O)(O)[O-])O)O.[Na+].[Na+]
- InChIKey
- NFQMDTRPCFJJND-WFIJOQBCSA-L
- InChI
- show more
- Synonyms
- DTXSID501036110 | Cytidine-5'-triphosphate disodium salt | SCHEMBL2194115 | AKOS016003874 | disodium;[[[(2R,3S,4R,5R)...
- Linopirdine dihydrochloride◐ .Made to order · 8–12 wks Item #: L274931View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one;dihydrochloride
- SMILES
- C1=CC=C(C=C1)N2C3=CC=CC=C3C(C2=O)(CC4=CC=NC=C4)CC5=CC=NC=C5.Cl.Cl
- InChIKey
- ZEVVHCGTTNRYOY-UHFFFAOYSA-N
- InChI
- 1S/C26H21N3O.2ClH/c30-25-26(18-20-10-14-27-15-11-20,19-21-12-16-28-17-13-21)23-8-4-5-9-24(23)29(25)22-6-2-1-3-7-22;;/h1-17H,18-19H2;2*1H
- Synonyms
- 1-Phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-onedihydrochloride
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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.