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).
By Target / Pathway / Disease
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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
24,642Navigate 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
102,635Explore 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)
19,700Find 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
- Irinotecan-d10 HydrochlorideCAS: 718612-62-5 Formula: C33H29D10ClN4O6 Molecular Weight: 633.2◐ .Made to order · 8–12 wks Item #: I333133View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7.Cl
- InChIKey
- GURKHSYORGJETM-SLLIWMIESA-N
- InChI
- show more
- Synonyms
- [1,4′-Bipiperidine]-1′-carboxylic Acid-d10 (4S)-4,11-Diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano[3′,4�...
- 5-Methyl[1,6]naphthyridin-2(1H)-oneCAS: 88296-61-1 Formula: C9H8N2O Molecular Weight: 160.18◐ .Made to order · 8–12 wks Item #: M340955View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-methyl-1H-1,6-naphthyridin-2-one
- SMILES
- CC1=NC=CC2=C1C=CC(=O)N2
- InChIKey
- OCCZJXAHSUCJSA-UHFFFAOYSA-N
- InChI
- 1S/C9H8N2O/c1-6-7-2-3-9(12)11-8(7)4-5-10-6/h2-5H,1H3,(H,11,12)
- Synonyms
- benzene sulphonamide | J-517722 | MEDORINONE [USAN] | Win 49,016 | FT-0681337 | 5-methyl-1,2-dihydro-1,6-naphthyridin...
- IopamidolCAS: 62883-00-5 Formula: C17H22I3N3O8 Molecular Weight: 777.09● In Stock — US warehouse, ships to EU* Item #: I304202View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-N,3-N-bis(1,3-dihydroxypropan-2-yl)-5-(2-hydroxypropanoylamino)-2,4,6-triiodobenzene-1,3-dicarboxamide
- SMILES
- CC(C(=O)NC1=C(C(=C(C(=C1I)C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I)O
- InChIKey
- XQZXYNRDCRIARQ-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- Bracco 15000|60208-45-9|62883-00-5|D-Iopamidol|N1,N3-Bis(1,3-dihydroxypropan-2-yl)-5-(2-hydroxypropanamido)-2,4,6-tri...
- Talabostat mesylate● In Stock — US warehouse, ships to EU* Item #: T286953View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [(2R)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]boronic acid;methanesulfonic acid
- SMILES
- B(C1CCCN1C(=O)C(C(C)C)N)(O)O.CS(=O)(=O)O
- InChIKey
- OXYYOEIGQRXGPI-WSZWBAFRSA-N
- InChI
- 1S/C9H19BN2O3.CH4O3S/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15;1-5(2,3)4/h6-8,14-15H,3-5,11H2,1-2H3;1H3,(H,2,3,4)/t7-,8-;/m0./s1
- Synonyms
- Talabostat mesylate | Talabostat mesilate | Val-boroPro | HY-13233A | SY013378 | Talabostat mesylate; Val-boroPro; PT...
- BIBP 3226 trifluoroacetateCAS: 1068148-47-9 Formula: C₂₇H₃₁N₅O₃・xCF3CO₂H Molecular Weight: 473.57◐ .Made to order · 8–12 wks Item #: B332344View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]pentanamide;2,2,2-trifluoroacetic acid
- SMILES
- C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(CCCN=C(N)N)C(=O)NCC3=CC=C(C=C3)O.C(=O)(C(F)(F)F)O
- InChIKey
- MTSZIDSCWZHKOD-GNAFDRTKSA-N
- InChI
- show more
- Synonyms
- N-[(1R)]-4-[(Aminoiminomethyl)amino-1-[[[(4-hydroxyphenyl)methyl]amino]carbonyl]butyl-α-phenylbenzeneacetamide ditrif...
- N-[2-(Piperidinylamino)ethyl]-4-iodobenzamideCAS: 155054-42-5 Formula: C14H19IN2O Molecular Weight: 358.22● In Stock — US warehouse, ships to EU* Item #: N287486View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-iodo-N-(2-piperidin-1-ylethyl)benzamide
- SMILES
- C1CCN(CC1)CCNC(=O)C2=CC=C(C=C2)I
- InChIKey
- WCMWVYQHPUQKHW-UHFFFAOYSA-N
- InChI
- 1S/C14H19IN2O/c15-13-6-4-12(5-7-13)14(18)16-8-11-17-9-2-1-3-10-17/h4-7H,1-3,8-11H2,(H,16,18)
- Synonyms
- HMS3411H17 | NCI60_022565 | 4-Iodo-N-(2-(1-piperidinyl)ethyl)benzamide | Dyzol | (125)I-Pab | 4-iodo-N-(2-piperidin-1...
- 5-Nitro-6,7-dichloro-1,4-dihydro-2,3-quinoxalinedioneCAS: 153504-81-5 Formula: C8H3Cl2N3O4 Molecular Weight: 276.03◐ .Made to order · 8–12 wks Item #: N335499View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 6,7-dichloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione
- SMILES
- C1=C2C(=C(C(=C1Cl)Cl)[N+](=O)[O-])NC(=O)C(=O)N2
- InChIKey
- CHFSOFHQIZKQCR-UHFFFAOYSA-N
- InChI
- 1S/C8H3Cl2N3O4/c9-2-1-3-5(6(4(2)10)13(16)17)12-8(15)7(14)11-3/h1H,(H,11,14)(H,12,15)
- Synonyms
- J-009022 | 6,7-Dichloro-5-nitro-1,4-dihydro-quinoxaline-2,3-dione | 6,7-dichloro-5-nitro-1,4-dihydroquinoxaline-2,3-d...
- Elacridar hydrochlorideCAS: 143851-98-3 Formula: C34H33N3O5·HCl Molecular Weight: 600.1● In Stock — US warehouse, ships to EU* Item #: E288324View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-5-methoxy-9-oxo-10H-acridine-4-carboxamide;hydrochloride
- SMILES
- COC1=CC=CC2=C1NC3=C(C2=O)C=CC=C3C(=O)NC4=CC=C(C=C4)CCN5CCC6=CC(=C(C=C6C5)OC)OC.Cl
- InChIKey
- IQOJZZHRYSSFJM-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- C23H21N5O3.HCl | Elacridarhydrochloride | 4-Acridinecarboxamide, N-(4-(2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolin...
- Iron Nickel powderFormula: Ni:Fe≥99% 50:50 wt%,300-700nm(D50)● In Stock — US warehouse, ships to EU* Item #: I384532View ProductPricing & Pack Sizes
Technical Identifiers
- Sulfo-Cyanine5 azide◐ .Made to order · 8–12 wks Item #: S276175View ProductPricing & Pack Sizes
Technical Identifiers
- BIX02188CAS: 334949-59-6 Formula: C25H24N4O2 Molecular Weight: 412.19Solid ≥98%● In Stock — US warehouse, ships to EU* Item #: B126730View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-[N-[3-[(dimethylamino)methyl]phenyl]-C-phenylcarbonimidoyl]-2-hydroxy-1H-indole-6-carboxamide
- SMILES
- CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N)O
- InChIKey
- WGPXKFOFEXJMBD-UHFFFAOYSA-N
- InChI
- 1S/C25H24N4O2/c1-29(2)15-16-7-6-10-19(13-16)27-23(17-8-4-3-5-9-17)22-20-12-11-18(24(26)30)14-21(20)28-25(22)31/h3-14,28,31H,15H2,1-2H3,(H2,26,30)
- Synonyms
- AC-28462 | (3Z)-3-[[3-[(dimethylamino)methyl]anilino]-phenylmethylidene]-2-oxo-1H-indole-6-carboxamide | SB19418 | 10...
- Sulfo-Cyanine5.5 NHS esterCAS: 2419286-92-1 Formula: C44H42N3K3O16S4 Molecular Weight: 1114.37Solid ≥95%● In Stock — US warehouse, ships to EU* Item #: S276331View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- Sulfo-CY-5.5 NHS ester | (Sulfo-Cyanine5.5 NHS ester) tripotassium
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![N-[2-(Piperidinylamino)ethyl]-4-iodobenzamide](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/N/2/N287486.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.