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
- NAD 299 hydrochlorideMoligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%(HPLC)● In Stock — US Item #: N288009View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (3R)-3-[di(cyclobutyl)amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide;hydrochloride
- SMILES
- C1CC(C1)N(C2CCC2)C3CC4=C(C=CC(=C4OC3)F)C(=O)N.Cl
- InChIKey
- GSZJANKLCPHEEX-BTQNPOSSSA-N
- InChI
- 1S/C18H23FN2O2.ClH/c19-16-8-7-14(18(20)22)15-9-13(10-23-17(15)16)21(11-3-1-4-11)12-5-2-6-12;/h7-8,11-13H,1-6,9-10H2,(H2,20,22);1H/t13-;/m1./s1
- Synonyms
- (3R)-3-(Dicyclobutylamino)-8-fluoro-3,4-dihydro-2H-1-benzopyran-5-carboxamide hydrochloride | Robalzotan hydrochlorid...
- GNE 9278CAS: 901230-11-3 Formula: C21H27N5O3S Molecular Weight: 429.54◐ .Made to order · 8–12 wks Item #: G288710View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-cyclohexyl-N-(5-methyl-7-oxo-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzenesulfonamide
- SMILES
- CCCC1=NC2=NC(=C(C(=O)N2N1)NS(=O)(=O)C3=CC=C(C=C3)C4CCCCC4)C
- InChIKey
- OKXCVUICUUOADN-UHFFFAOYSA-N
- InChI
- 1S/C21H27N5O3S/c1-3-7-18-23-21-22-14(2)19(20(27)26(21)24-18)25-30(28,29)17-12-10-16(11-13-17)15-8-5-4-6-9-15/h10-13,15,25H,3-9H2,1-2H3,(H,22,23,24)
- Synonyms
- 4-Cyclohexyl-N-(7-hydroxy-5-methyl-2-propyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzenesulfonamide
- NAB 2CAS: 1504588-00-4 Formula: C23H20ClN3O Molecular Weight: 389.88◐ .Made to order · 8–12 wks Item #: N276306View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[(2-chlorophenyl)methyl]-1-(2,5-dimethylphenyl)benzimidazole-5-carboxamide
- SMILES
- CC1=CC(=C(C=C1)C)N2C=NC3=C2C=CC(=C3)C(=O)NCC4=CC=CC=C4Cl
- InChIKey
- CZSLEMCYYGEGKP-UHFFFAOYSA-N
- InChI
- 1S/C23H20ClN3O/c1-15-7-8-16(2)22(11-15)27-14-26-20-12-17(9-10-21(20)27)23(28)25-13-18-5-3-4-6-19(18)24/h3-12,14H,13H2,1-2H3,(H,25,28)
- Synonyms
- alphaSYN inhibitor NAB2 | alphaSYNINNAB2 | alphaSYN-IN-NAB2 | SCHEMBL16082488 | alphaSYN inhibitor-NAB2 | EN300-17435...
- Ziprasidone HCl● In Stock — US Item #: E129717View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one;hydrochloride
- SMILES
- C1CN(CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54.Cl
- InChIKey
- NZDBKBRIBJLNNT-UHFFFAOYSA-N
- InChI
- 1S/C21H21ClN4OS.ClH/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21;/h1-4,11,13H,5-10,12H2,(H,23,27);1H
- Synonyms
- 5-(2-(4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl)-ethyl)-6-chloroindolin-2-one hydrochloride | 5-(2-(4-(Benzo[d]isothi...
- NVP-ADW742CAS: 475488-23-4 Formula: C28H31N5O Molecular Weight: 453.58● In Stock — US Item #: N126810View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-(3-phenylmethoxyphenyl)-7-[3-(pyrrolidin-1-ylmethyl)cyclobutyl]pyrrolo[2,3-d]pyrimidin-4-amine
- SMILES
- C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6
- InChIKey
- LSFLAQVDISHMNB-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- 5-(3-Benzyloxyphenyl)-7-[trans-3-[(pyrrolidin-1-yl)methyl]cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine | AS-56233 |...
- Quipazine dimaleate● In Stock — US Item #: Q274905View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (Z)-but-2-enedioic acid;2-piperazin-1-ylquinoline
- SMILES
- C1CN(CCN1)C2=NC3=CC=CC=C3C=C2.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O
- InChIKey
- VAOSOCRJSSWBEQ-SPIKMXEPSA-N
- InChI
- 1S/C13H15N3.2C4H4O4/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16;2*5-3(6)1-2-4(7)8/h1-6,14H,7-10H2;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-
- Synonyms
- HMS2096L16 | 2-(1-Piperazinyl)quinoline Dimaleate; 2-(1-Piperazinyl)quinoline (Z)-2-Butenedioate (1:2) | HMS3411K14 |...
- R 121919 hydrochloride◐ .Made to order · 8–12 wks Item #: R287238View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-[6-(dimethylamino)-4-methylpyridin-3-yl]-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride
- SMILES
- CCCN(CCC)C1=CC(=NC2=C(C(=NN12)C)C3=CN=C(C=C3C)N(C)C)C.Cl
- InChIKey
- LGDDPMVPDGTXMV-UHFFFAOYSA-N
- InChI
- 1S/C22H32N6.ClH/c1-8-10-27(11-9-2)20-13-16(4)24-22-21(17(5)25-28(20)22)18-14-23-19(26(6)7)12-15(18)3;/h12-14H,8-11H2,1-7H3;1H
- Synonyms
- 3-[6-(Dimethylamino)-4-methylpyridin-3-yl]-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine--hydrogen chlori...
- LicofeloneCAS: 156897-06-2 Formula: C23H22ClNO2 Molecular Weight: 379.88● In Stock — US Item #: L129298View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetic acid
- SMILES
- CC1(CC2=C(C(=C(N2C1)CC(=O)O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C
- InChIKey
- UAWXGRJVZSAUSZ-UHFFFAOYSA-N
- InChI
- 1S/C23H22ClNO2/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(24)11-9-16)18(12-20(26)27)25(19)14-23/h3-11H,12-14H2,1-2H3,(H,26,27)
- Synonyms
- ML-3000 | 2,2-Dimethyl-6-(4-chlorophenyl-7-phenyl-2,3-dihydro-1H-pyrrolizine-5-yl)acetic acid | 2,3-Dihydro-6-(4-chlo...
- Lin28 1632CAS: 108825-65-6 Formula: C15H15N5O Molecular Weight: 281.31● In Stock — US Item #: L287258View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-methyl-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
- SMILES
- CC1=NN=C2N1N=C(C=C2)C3=CC(=CC=C3)N(C)C(=O)C
- InChIKey
- WPAQLESUVYGUJZ-UHFFFAOYSA-N
- InChI
- 1S/C15H15N5O/c1-10-16-17-15-8-7-14(18-20(10)15)12-5-4-6-13(9-12)19(3)11(2)21/h4-9H,1-3H3
- Synonyms
- Lin28 1632 | Lin-28 1632 | N-methyl-N-[3-(3-methyl-1,2,4-triazolo[4,3-b]-pyridazin-6-yl)phenyl]acetamide | N-Methyl-N...
- GBR 13069 dihydrochloride● In Stock — US Item #: G275930View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine;dihydrochloride
- SMILES
- C1CN(CCN1CCOC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)CC=CC4=CC=CC=C4.Cl.Cl
- InChIKey
- ZBSZWEYIIGLGSX-RDRKJGRWSA-N
- InChI
- show more
- Synonyms
- GBR-12879 dihydrochloride | HY-100929 | Piperazine, 1-(2-(bis(4-fluorophenyl)methoxy)ethyl)-4-(3-phenyl-2-propenyl)-,...
- Lidocaine hydrochlorideCAS: 73-78-9 Formula: C14H22N2O.HCl Molecular Weight: 270.8● In Stock — US Item #: L276132View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;hydrochloride
- SMILES
- CCN(CC)CC(=O)NC1=C(C=CC=C1C)C.Cl
- InChIKey
- IYBQHJMYDGVZRY-UHFFFAOYSA-N
- InChI
- 1S/C14H22N2O.ClH/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4;/h7-9H,5-6,10H2,1-4H3,(H,15,17);1H
- Synonyms
- Rucaina hydrochloride | Xilina hydrochloride | Xyloneural | Lidocaine hydrochloride | Lidothesin | Xycaine hydrochlor...
- GBR 12935 dihydrochloride● In Stock — US Item #: G286547View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-(2-benzhydryloxyethyl)-4-(3-phenylpropyl)piperazine;dihydrochloride
- SMILES
- C1CN(CCN1CCCC2=CC=CC=C2)CCOC(C3=CC=CC=C3)C4=CC=CC=C4.Cl.Cl
- InChIKey
- NQWRSILGEXNJIT-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- 1-(2-Diphenylmethoxyethyl)-4-(3-phenylpropyl)piperazinedihydrochloride | Tox21_500560 | HY-12242 | 1-[2-(benzhydrylox...
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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.