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).
Targets & Pathways
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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
24,639Navigate 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
2,815PROTAC 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
102,615Explore 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
- methyl 1-benzyl-3-fluoropyrrolidine-3-carboxylateCAS: 1279669-60-1 Formula: C13H16FNO2 Molecular Weight: 237.27● In Stock — US warehouse, ships to EU* Item #: M302326View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- methyl 1-benzyl-3-fluoropyrrolidine-3-carboxylate
- SMILES
- COC(=O)C1(CCN(C1)CC2=CC=CC=C2)F
- InChIKey
- UQMVXIDFYRQQIS-UHFFFAOYSA-N
- InChI
- 1S/C13H16FNO2/c1-17-12(16)13(14)7-8-15(10-13)9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
- methyl 2-benzylhexahydrocyclopenta[c]pyrrole-3a(1H)-carboxylateCAS: 885958-43-0 Formula: C16H21NO2 Molecular Weight: 259.35◐ .Made to order · 8–12 wks Item #: H304834View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- methyl 2-benzyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylate
- SMILES
- COC(=O)C12CCCC1CN(C2)CC3=CC=CC=C3
- InChIKey
- DFKYQTUJTMSPII-UHFFFAOYSA-N
- InChI
- 1S/C16H21NO2/c1-19-15(18)16-9-5-8-14(16)11-17(12-16)10-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3
- methyl 4-(4-hydroxybut-1-yn-1-yl)benzoateCAS: 123910-86-1 Formula: C12H12O3 Molecular Weight: 204.22● In Stock — US warehouse, ships to EU* Item #: M302279View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- methyl 4-(4-hydroxybut-1-ynyl)benzoate
- SMILES
- COC(=O)C1=CC=C(C=C1)C#CCCO
- InChIKey
- FCRMPVNWMHHKSE-UHFFFAOYSA-N
- InChI
- 1S/C12H12O3/c1-15-12(14)11-7-5-10(6-8-11)4-2-3-9-13/h5-8,13H,3,9H2,1H3
- magnesium dimetaphosphateCAS: 13573-12-1 Formula: MgO6P2 Molecular Weight: 182.25● In Stock — Germany Item #: M302475View ProductPricing & Pack Sizes
Technical Identifiers
- SMILES
- [O-]P(=O)=O.[O-]P(=O)=O.[Mg+2]
- InChIKey
- RHJYKEDKMHDZBL-UHFFFAOYSA-L
- InChI
- 1S/Mg.2HO3P/c;2*1-4(2)3/h;2*(H,1,2,3)/q+2;;/p-2
- Synonyms
- Magnesium dimetaphosphate|13573-12-1|Metaphosphoric acid (HPO3), magnesium salt|EINECS 237-000-7|Magnesium Metaphosph...
- manganese nitrideCAS: 12033-07-7 Formula: MnxNyN 8%● In Stock — Germany Item #: M302597View ProductPricing & Pack Sizes
Technical Identifiers
- mAChR-IN-1 hydrochloride● In Stock — US warehouse, ships to EU* Item #: M412132View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-[1-[(4-iodophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione;hydrochloride
- SMILES
- C1CN(CCC1C2(CCC(=O)NC2=O)C3=CC=CC=C3)CC4=CC=C(C=C4)I.Cl
- InChIKey
- LZPQCDPVLUEOSL-UHFFFAOYSA-N
- InChI
- 1S/C23H25IN2O2.ClH/c24-20-8-6-17(7-9-20)16-26-14-11-19(12-15-26)23(18-4-2-1-3-5-18)13-10-21(27)25-22(23)28;/h1-9,19H,10-16H2,(H,25,27,28);1H
- Synonyms
- 1'-(4-Iodobenzyl)-3-phenyl-[3,4'-bipiperidine]-2,6-dione hydrochloride
- methyl 4-(4-hydroxybutyl)benzoateCAS: 123910-88-3 Formula: C12H16O3 Molecular Weight: 208.25● In Stock — US warehouse, ships to EU* Item #: M302280View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- methyl 4-(4-hydroxybutyl)benzoate
- SMILES
- COC(=O)C1=CC=C(C=C1)CCCCO
- InChIKey
- KVKWRSNRAXOBFC-UHFFFAOYSA-N
- InChI
- 1S/C12H16O3/c1-15-12(14)11-7-5-10(6-8-11)4-2-3-9-13/h5-8,13H,2-4,9H2,1H3
- Synonyms
- US11365192, Example 46-5 | YEA91088 | MFCD12547324 | methyl4-(4-hydroxybutyl)benzoate | P16651 | 4-(4-hydroxybutyl)be...
- methyl-2-fluoro-4-iodo-benzoateCAS: 204257-72-7 Formula: C8H6FIO2 Molecular Weight: 280.04● In Stock — US warehouse, ships to EU* Item #: M302730View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- methyl 2-fluoro-4-iodobenzoate
- SMILES
- COC(=O)C1=C(C=C(C=C1)I)F
- InChIKey
- SCHHLHKOJRWALP-UHFFFAOYSA-N
- InChI
- 1S/C8H6FIO2/c1-12-8(11)6-3-2-5(10)4-7(6)9/h2-4H,1H3
- Synonyms
- Z1269165900 | SY104430 | 2-Fluoro-4-iodobenzoic acid methyl ester | methyl-2-fluoro-4-iodo-benzoate | Methyl2-Fluoro-...
- methyl hexahydrocyclopenta[c]pyrrole-3a(1H)-carboxylate hydrochlorideCAS: 1372548-30-5 Formula: C9H16ClNO2 Molecular Weight: 205.68◐ .Made to order · 8–12 wks Item #: H302506View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- methyl 2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxylate
- SMILES
- COC(=O)C12CCCC1CNC2
- InChIKey
- HFQYLMMYIGSJBU-UHFFFAOYSA-N
- InChI
- 1S/C9H15NO2/c1-12-8(11)9-4-2-3-7(9)5-10-6-9/h7,10H,2-6H2,1H3
- methyl 6-(piperazin-1-yl)nicotinateCAS: 132144-03-7 Formula: C11H15N3O2 Molecular Weight: 221.26◐ .Made to order · 8–12 wks Item #: M302387View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- methyl 6-piperazin-1-ylpyridine-3-carboxylate
- SMILES
- COC(=O)C1=CN=C(C=C1)N2CCNCC2
- InChIKey
- HMFYTTJLIFNUCP-UHFFFAOYSA-N
- InChI
- 1S/C11H15N3O2/c1-16-11(15)9-2-3-10(13-8-9)14-6-4-12-5-7-14/h2-3,8,12H,4-7H2,1H3
- Synonyms
- SCHEMBL532001 | methyl 6-piperazin-1-ylpyridine-3-carboxylate | MFCD00894966 | Methyl 6-(piperazin-1-yl)nicotinate | ...
- metoclopramide hydrochloride, Serotonin 4 (5-HT4) receptor agonist● In Stock — US warehouse, ships to EU* Item #: M303938View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide;hydrate;hydrochloride
- SMILES
- CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl.O.Cl
- InChIKey
- KJBLQGHJOCAOJP-UHFFFAOYSA-N
- InChI
- 1S/C14H22ClN3O2.ClH.H2O/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3;;/h8-9H,4-7,16H2,1-3H3,(H,17,19);1H;1H2
- Synonyms
- Gastrotem | Metamide | METOCLOPRAMIDE HYDROCHLORIDE [USAN] | METOCLOPRAMIDE HYDROCHLORIDE [WHO-DD] | Gastrobid | METI...
- mrx-6313CAS: 1429881-91-3 Formula: C28H40N6O Molecular Weight: 476.6610mM in DMSO● In Stock — US warehouse, ships to EU* Item #: M421587View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[2-(butylamino)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol
- SMILES
- CCCCNC1=NC=C2C(=CN(C2=N1)C3CCC(CC3)O)C4=CC=C(C=C4)CN5CCN(CC5)C
- InChIKey
- MJSHVHLADKXCML-UHFFFAOYSA-N
- InChI
- show more
![methyl 2-benzylhexahydrocyclopenta[c]pyrrole-3a(1H)-carboxylate - ≥99% CAS No(885958-43-0) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/H/3/H304834.png)
![methyl hexahydrocyclopenta[c]pyrrole-3a(1H)-carboxylate hydrochloride - ≥95% CAS No(1372548-30-5) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/H/3/H302506.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.