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
24,642Navigate 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
102,634Explore 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)
19,701Find 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)
8,782Shop 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
- ER 50891CAS: 187400-85-7 Formula: C29H24N2O2 Molecular Weight: 432.51◐ .Made to order · 8–12 wks Item #: E287581View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[5-(4-phenyl-8-propan-2-ylquinolin-2-yl)-1H-pyrrol-2-yl]benzoic acid
- SMILES
- CC(C)C1=CC=CC2=C1N=C(C=C2C3=CC=CC=C3)C4=CC=C(N4)C5=CC=C(C=C5)C(=O)O
- InChIKey
- LSGNKLDHMQVTEK-UHFFFAOYSA-N
- InChI
- 1S/C29H24N2O2/c1-18(2)22-9-6-10-23-24(19-7-4-3-5-8-19)17-27(31-28(22)23)26-16-15-25(30-26)20-11-13-21(14-12-20)29(32)33/h3-18,30H,1-2H3,(H,32,33)
- Synonyms
- BDBM50099474 | J-012065 | HY-108531 | 4-[5-[8-(1-Methylethyl)-4-phenyl-2-quinolinyl]-1H-pyrrolo-2-benzoic acid | AKOS...
- MS 21570CAS: 65373-29-7 Formula: C10H11N3S2 Molecular Weight: 237.34Solid ≥98%(HPLC)● In Stock — US Item #: M287065View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-benzylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine
- SMILES
- CNC1=NN=C(S1)SCC2=CC=CC=C2
- InChIKey
- KFLNRVSOQJTXDG-UHFFFAOYSA-N
- InChI
- 1S/C10H11N3S2/c1-11-9-12-13-10(15-9)14-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,12)
- Synonyms
- MS0021570 | 5-(Benzylsulfanyl)-N-methyl-1,3,4-thiadiazol-2-amine | MS0021570_1 | N-Methyl-5-[(phenylmethyl)thio]-1,3,...
- Ibutilide Fumarate, HERG blockerCAS: 122647-32-9 EC Number: 687-381-2 PubChem CID: 5281065 Formula: C20H36N2O3S·0.5C4H4O4 Molecular Weight: 442.61Solid ≥97%● In Stock — US Item #: E129551View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (E)-but-2-enedioic acid;N-[4-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide
- SMILES
- CCCCCCCN(CC)CCCC(C1=CC=C(C=C1)NS(=O)(=O)C)O.CCCCCCCN(CC)CCCC(C1=CC=C(C=C1)NS(=O)(=O)C)O.C(=CC(=O)O)C(=O)O
- InChIKey
- PCIOHQNIRPWFMV-WXXKFALUSA-N
- InChI
- show more
- Synonyms
- DTXCID1028578 | IBUTILIDE FUMARATE (MART.) | SCHEMBL42073 | N-(4-(4-(ethyl(heptyl)amino)-1-hydroxybutyl)phenyl)methan...
- N-Butyl-N-methylpyrrolidinium tetrafluoroborateCAS: 345984-11-4 EC Number: 628-998-9 PubChem CID: 44717198 Formula: C9H20BF4N Molecular Weight: 229.07● In Stock — US Item #: N303496View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-butyl-1-methylpyrrolidin-1-ium;tetrafluoroborate
- SMILES
- [B-](F)(F)(F)F.CCCC[N+]1(CCCC1)C
- InChIKey
- PGCVCJOPLBWQHU-UHFFFAOYSA-N
- InChI
- 1S/C9H20N.BF4/c1-3-4-7-10(2)8-5-6-9-10;2-1(3,4)5/h3-9H2,1-2H3;/q+1;-1
- BHPICAS: 56632-39-4 Formula: C21H17NO3 Molecular Weight: 331.36● In Stock — US Item #: B288704View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3,3-bis(4-hydroxyphenyl)-7-methyl-1H-indol-2-one
- SMILES
- CC1=C2C(=CC=C1)C(C(=O)N2)(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O
- InChIKey
- FABLAHMQSQFDHR-UHFFFAOYSA-N
- InChI
- 1S/C21H17NO3/c1-13-3-2-4-18-19(13)22-20(25)21(18,14-5-9-16(23)10-6-14)15-7-11-17(24)12-8-15/h2-12,23-24H,1H3,(H,22,25)
- Synonyms
- SMR000194821 | BHPI | HY-12825 | A913373 | FABLAHMQSQFDHR-UHFFFAOYSA-N | MLS000573319 | cid_3860640 | 3,3-bis(4-hydro...
- Indomethacin Sodium Salt Trihydrate, Cyclooxygenase inhibitorCAS: 74252-25-8 EC Number: 688-502-1 PubChem CID: 23674731 Formula: C19H21ClNNaO7 Molecular Weight: 433.8● In Stock — US Item #: I304533View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- sodium;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate;trihydrate
- SMILES
- CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)[O-].O.O.O.[Na+]
- InChIKey
- UHYAQBLOGVNWNT-UHFFFAOYSA-M
- InChI
- 1S/C19H16ClNO4.Na.3H2O/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12;;;;/h3-9H,10H2,1-2H3,(H,22,23);;3*1H2/q;+1;;;/p-1
- Synonyms
- Indomethacin sodium trihydrate | Indocin I.V. (TN) | INDOMETACIN SODIUM [MART.] | DTXSID00225256 | INDOMETACIN SODIUM...
- Imidazo[1,2-a]pyridin-3-yl-acetic acidCAS: 17745-04-9 Formula: C9H8N2O2 Molecular Weight: 176.18● In Stock — US Item #: I305203View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-imidazo[1,2-a]pyridin-3-ylacetic acid
- SMILES
- C1=CC2=NC=C(N2C=C1)CC(=O)O
- InChIKey
- ZVBVKRNOISRONE-UHFFFAOYSA-N
- InChI
- 1S/C9H8N2O2/c12-9(13)5-7-6-10-8-3-1-2-4-11(7)8/h1-4,6H,5H2,(H,12,13)
- Synonyms
- BRN 0779907 | Q27461384 | 2-{imidazo[1,2-a]pyridin-3-yl}acetic acid | ZVBVKRNOISRONE-UHFFFAOYSA-N | F30060 | 2-(imida...
- ETP-46464CAS: 1345675-02-6 Formula: C30H22N4O2 Molecular Weight: 470.52Solid 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 Item #: E125288View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-methyl-2-[4-(2-oxo-9-quinolin-3-yl-4H-[1,3]oxazino[5,4-c]quinolin-1-yl)phenyl]propanenitrile
- SMILES
- CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3COC2=O)C5=CC6=CC=CC=C6N=C5
- InChIKey
- DPLMXAYKJZOTKO-UHFFFAOYSA-N
- InChI
- 1S/C30H22N4O2/c1-30(2,18-31)23-8-10-24(11-9-23)34-28-22(17-36-29(34)35)16-33-27-12-7-19(14-25(27)28)21-13-20-5-3-4-6-26(20)32-15-21/h3-16H,17H2,1-2H3
- Synonyms
- 2-Methyl-2-[4-(2-oxo-9-quinolin-3-yl-4H-[1,3]oxazino[5,4-c]quinolin-1-yl)phenyl]propanenitrile | 4-[4-(1-Isocyano-1-m...
- VU 0155041 sodium salt◐ .Made to order · 8–12 wks Item #: V287422View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- sodium;(1R,2S)-2-[(3,5-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylate
- SMILES
- C1CCC(C(C1)C(=O)NC2=CC(=CC(=C2)Cl)Cl)C(=O)[O-].[Na+]
- InChIKey
- ZFDOLOCYGVTGDQ-ZVWHLABXSA-M
- InChI
- 1S/C14H15Cl2NO3.Na/c15-8-5-9(16)7-10(6-8)17-13(18)11-3-1-2-4-12(11)14(19)20;/h5-7,11-12H,1-4H2,(H,17,18)(H,19,20);/q;+1/p-1/t11-,12+;/m0./s1
- Synonyms
- cis-2-[[(3,5-Dichlorophenyl)amino]carbonyl]cyclohexanecarboxylic acid sodium salt
- 5-MethoxypyrimidineCAS: 31458-33-0 Formula: C5H6N2O Molecular Weight: 110.12● In Stock — US Item #: M303416View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-methoxypyrimidine
- SMILES
- COC1=CN=CN=C1
- InChIKey
- JIADELSANNMYFC-UHFFFAOYSA-N
- InChI
- 1S/C5H6N2O/c1-8-5-2-6-4-7-3-5/h2-4H,1H3
- Synonyms
- AC-23096 | SY034303 | A5695 | JIADELSANNMYFC-UHFFFAOYSA-N | 2-fluor-3-methoxy benzoic acid | J-517716 | MFCD04971313 ...
- Formoterol Hemifumarate● In Stock — US Item #: F129812View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (E)-but-2-enedioic acid;N-[2-hydroxy-5-[(1S)-1-hydroxy-2-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide
- SMILES
- CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)NC=O)O.CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)NC=O)O.C(=CC(=O)O)C(=O)O
- InChIKey
- OBRNDARFFFHCGE-PERKLWIXSA-N
- InChI
- show more
- Synonyms
- YM 08316 | HMS3267L10 | HMS3676B17 | SR-01000872712 | F0881 | Formoterol hemifumarate | HMS3412B17 | N-(2-hydroxy-5-(...
- EctoineCAS: 96702-03-3 Formula: C6H10N2O2 Molecular Weight: 142.16Solid ≥97%● In Stock — US Item #: E305040View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (6S)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid
- SMILES
- CC1=N[C@@H](CCN1)C(O)=O
- InChIKey
- WQXNXVUDBPYKBA-YFKPBYRVSA-N
- InChI
- 1S/C6H10N2O2/c1-4-7-3-2-5(8-4)6(9)10/h5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1
- Synonyms
- THP(B) | SCHEMBL93532 | WQXNXVUDBPYKBA-YFKPBYRVSA-N | (S)-2-Methyl-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid | 4...
![Imidazo[1,2-a]pyridin-3-yl-acetic acid](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/I/3/I305203.png)
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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.
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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.