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
24,635Navigate 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
102,621Explore 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)
19,694Find 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
- 4-(4-Chlorophenyl)-3-methyl-1-phenyl-1H-indeno[1,2-b]pyrazolo[4,3-e]pyridin-5-oneCAS: 1009630-24-3 Formula: C26H16ClN3O Molecular Weight: 421.887● In Stock — US warehouse, ships to EU* Item #: C342221View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 10-(4-chlorophenyl)-12-methyl-14-phenyl-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,12,15-heptaen-8-one
- SMILES
- CC1=NN(C2=NC3=C(C(=C12)C4=CC=C(C=C4)Cl)C(=O)C5=CC=CC=C53)C6=CC=CC=C6
- InChIKey
- JMHITUQKRXDPQS-UHFFFAOYSA-N
- InChI
- 1S/C26H16ClN3O/c1-15-21-22(16-11-13-17(27)14-12-16)23-24(19-9-5-6-10-20(19)25(23)31)28-26(21)30(29-15)18-7-3-2-4-8-18/h2-14H,1H3
- Synonyms
- 4-(4-Chlorophenyl)-3-methyl-1-phenyl-1H-indeno[1,2 -b]pyrazolo[4,3-e]pyridin-5-one | DTXSID80647255 | 1009630-24-3 | ...
- 4-(3-Formylphenyl)pyridineCAS: 208190-04-9 Formula: C12H9NO Molecular Weight: 183.21● In Stock — US warehouse, ships to EU* Item #: F342899View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-pyridin-4-ylbenzaldehyde
- SMILES
- C1=CC(=CC(=C1)C2=CC=NC=C2)C=O
- InChIKey
- ANVUAAJNQXEBNM-UHFFFAOYSA-N
- InChI
- 1S/C12H9NO/c14-9-10-2-1-3-12(8-10)11-4-6-13-7-5-11/h1-9H
- Synonyms
- AS-60042 | EN300-85308 | 3-pyrid-4-ylbenzaldehyde | AKOS004117393 | MFCD02684105 | AC-26463 | Benzaldehyde, 3-(4-pyri...
- 4-(4-Fluorophenyl)-3-hydroxymethyl-1-methyl-piperidineCAS: 109887-53-8 Formula: C13H18FNO Molecular Weight: 223.29◐ .Made to order · 8–12 wks Item #: F302184View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol
- SMILES
- CN1CCC(C(C1)CO)C2=CC=C(C=C2)F
- InChIKey
- CXRHUYYZISIIMT-UHFFFAOYSA-N
- InChI
- 1S/C13H18FNO/c1-15-7-6-13(11(8-15)9-16)10-2-4-12(14)5-3-10/h2-5,11,13,16H,6-9H2,1H3
- Synonyms
- SB49401 | starbld0018161 | 4-(3,3-DIMETHYL-5-OXO-CYCLOHEXYLIDENEAMINO)-BENZOICACID | AC-449 | Paroxetine Impurity 18 ...
- 4-(4-Fluorobenzyloxy)-3-nitrobenzaldehydeCAS: 175136-18-2 Formula: C14H10FNO4 Molecular Weight: 275.24● In Stock — Germany Item #: F343222View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[(4-fluorophenyl)methoxy]-3-nitrobenzaldehyde
- SMILES
- C1=CC(=CC=C1COC2=C(C=C(C=C2)C=O)[N+](=O)[O-])F
- InChIKey
- WMXZCHIRDDTONT-UHFFFAOYSA-N
- InChI
- 1S/C14H10FNO4/c15-12-4-1-10(2-5-12)9-20-14-6-3-11(8-17)7-13(14)16(18)19/h1-8H,9H2
- Synonyms
- WMXZCHIRDDTONT-UHFFFAOYSA-N | 4-[(4-Fluorobenzyl)oxy]-3-nitrobenzenecarbaldehyde | 4-[(4-fluorophenyl)methoxy]-3-nitr...
- 4-Mercaptophenylboronic acid pinacol ester● In Stock — US warehouse, ships to EU* Item #: T302099View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenethiol
- SMILES
- B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)S
- InChIKey
- RQGLRPJSYBTXLH-UHFFFAOYSA-N
- InChI
- 1S/C12H17BO2S/c1-11(2)12(3,4)15-13(14-11)9-5-7-10(16)8-6-9/h5-8,16H,1-4H3
- Synonyms
- 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzenethiol
- 4-(Bromomethyl)-2,1,3-benzothiadiazoleCAS: 16405-99-5 Formula: C7H5BrN2S Molecular Weight: 229.1● In Stock — US warehouse, ships to EU* Item #: B345066View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(bromomethyl)-2,1,3-benzothiadiazole
- SMILES
- C1=CC2=NSN=C2C(=C1)CBr
- InChIKey
- QKHNCECWIKLSSV-UHFFFAOYSA-N
- InChI
- 1S/C7H5BrN2S/c8-4-5-2-1-3-6-7(5)10-11-9-6/h1-3H,4H2
- Synonyms
- 4-(bromomethyl)benzo[c][1,2,5]thiadiazole | A857548 | 4-bromomethylbenzo-2,1,3-thiadiazole | FT-0616703 | 4-(bromomet...
- 4-(Bromomethyl)-3-methyl-5-phenylisoxazole◐ .Made to order · 8–12 wks Item #: B343769View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(bromomethyl)-3-methyl-5-phenyl-1,2-oxazole
- SMILES
- CC1=NOC(=C1CBr)C2=CC=CC=C2
- InChIKey
- KCGVZUOBUPWFJC-UHFFFAOYSA-N
- InChI
- 1S/C11H10BrNO/c1-8-10(7-12)11(14-13-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3
- Synonyms
- PS-9901 | A803100 | FT-0616706 | 4-Bromomethyl-3-methyl-5-phenylisoxazole | SCHEMBL244016 | 4-(bromomethyl)-3-methyl-...
- 4-(Ethylamino)benzoic acidCAS: 7409-09-8 Formula: C9H11NO2 Molecular Weight: 165.19● In Stock — US warehouse, ships to EU* Item #: E331267View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(ethylamino)benzoic acid
- SMILES
- CCNC1=CC=C(C=C1)C(=O)O
- InChIKey
- SWXFMMWYVSYQGF-UHFFFAOYSA-N
- InChI
- 1S/C9H11NO2/c1-2-10-8-5-3-7(4-6-8)9(11)12/h3-6,10H,2H2,1H3,(H,11,12)
- Synonyms
- 4-(ethylamino)benzoic acid, AldrichCPR | SR-01000643679-1 | Z381340222 | EN300-153193 | W-204308 | 4-(ethylamino)benz...
- 4-(Furfurylaminocarbonyl)benzeneboronic acid (contains varying amounts of Anhydride)CAS: 850568-18-2 Formula: C12H12BNO4 Molecular Weight: 245.04● In Stock — US warehouse, ships to EU* Item #: F342441View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [4-(furan-2-ylmethylcarbamoyl)phenyl]boronic acid
- SMILES
- B(C1=CC=C(C=C1)C(=O)NCC2=CC=CO2)(O)O
- InChIKey
- KXSMENBYQORPAK-UHFFFAOYSA-N
- InChI
- 1S/C12H12BNO4/c15-12(14-8-11-2-1-7-18-11)9-3-5-10(6-4-9)13(16)17/h1-7,16-17H,8H2,(H,14,15)
- Synonyms
- (4-((Furan-2-ylmethyl)carbamoyl)phenyl)boronicacid | KXSMENBYQORPAK-UHFFFAOYSA-N | SCHEMBL2933285 | DTXSID10407228 | ...
- 4-Acetonyl-1-benzylpiperidineCAS: 85704-16-1 Formula: C15H21NO Molecular Weight: 231.33● In Stock — US warehouse, ships to EU* Item #: A344109View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-(1-benzylpiperidin-4-yl)propan-2-one
- SMILES
- CC(=O)CC1CCN(CC1)CC2=CC=CC=C2
- InChIKey
- KPGKLICEYBMSSY-UHFFFAOYSA-N
- InChI
- 1S/C15H21NO/c1-13(17)11-14-7-9-16(10-8-14)12-15-5-3-2-4-6-15/h2-6,14H,7-12H2,1H3
- Synonyms
- SCHEMBL4505679 | SB43688 | 4-ACETONYL-1-BENZYLPIPERIDINE | 1-(1-BENZYL-PIPERIDIN-4-YL)-PROPAN-2-ONE | 1-(1-benzylpipe...
- 4-(Trimethylsilyl)Butan-1-ol● In Stock — US warehouse, ships to EU* Item #: T303337View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-trimethylsilylbutan-1-ol
- SMILES
- C[Si](C)(C)CCCCO
- InChIKey
- MDJXWYVEZHDNPO-UHFFFAOYSA-N
- InChI
- 1S/C7H18OSi/c1-9(2,3)7-5-4-6-8/h8H,4-7H2,1-3H3
- Synonyms
- 4-(trimethylsilyl)butan-1-ol|2917-40-0|4-trimethylsilylbutan-1-ol|1-butanol, 4-(trimethylsilyl)-|4-hydroxybutyltrimet...
- 4-(Hydroxymercury)benzoic acid sodium salt● In Stock — US warehouse, ships to EU* Item #: H302793View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- sodium;(4-carboxylatophenyl)mercury;hydrate
- SMILES
- [Na+].O[Hg]c1ccc(cc1)C([O-])=O
- InChIKey
- BERBQUNVJGVZCX-UHFFFAOYSA-M
- InChI
- 1S/C7H5O2.Hg.Na.H2O/c8-7(9)6-4-2-1-3-5-6;;;/h2-5H,(H,8,9);;;1H2/q;;+1;/p-1
- Synonyms
- 4-Hydroxymercuribenzoate | Sodium p-hydroxy mercury benzoate | PCMB
![4-(4-Chlorophenyl)-3-methyl-1-phenyl-1H-indeno[1,2-b]pyrazolo[4,3-e]pyridin-5-one - ≥97% CAS No(1009630-24-3) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/C/3/C342221.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.
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.