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
24,653Navigate 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
2,812PROTAC 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
102,662Explore 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)
19,717Find 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)
8,794Shop 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
- NSC 319726CAS: 71555-25-4 Formula: C11H14N4S Molecular Weight: 234.32● In Stock — US warehouse, ships to EU* Item #: N129966View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[(E)-1-pyridin-2-ylethylideneamino]azetidine-1-carbothioamide
- SMILES
- CC(=NNC(=S)N1CCC1)C2=CC=CC=N2
- InChIKey
- XDHBUMNIQRLHGO-UKTHLTGXSA-N
- InChI
- 1S/C11H14N4S/c1-9(10-5-2-3-6-12-10)13-14-11(16)15-7-4-8-15/h2-3,5-6H,4,7-8H2,1H3,(H,14,16)/b13-9+
- Synonyms
- NSC 319726 | s7149 | BRD-K99170882-001-01-9 | A899911 | Azetidinecarbothioic acid, [1-(2-pyridinyl)ethylidene] hydraz...
- 5-Iodotubercidin● In Stock — US warehouse, ships to EU* Item #: L125077View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2R,3R,4S,5R)-2-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
- SMILES
- C1=C(C2=C(N=CN=C2N1C3C(C(C(O3)CO)O)O)N)I
- InChIKey
- WHSIXKUPQCKWBY-IOSLPCCCSA-N
- InChI
- 1S/C11H13IN4O4/c12-4-1-16(10-6(4)9(13)14-3-15-10)11-8(19)7(18)5(2-17)20-11/h1,3,5,7-8,11,17-19H,2H2,(H2,13,14,15)/t5-,7-,8-,11-/m1/s1
- Synonyms
- (2R,3R,4S,5R)-2-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol | A848734 | BDBM503756...
- Gliclazide, Sulfonylurea receptor 1, Kir6.2 blockerSolid ≥99%● In Stock — US warehouse, ships to EU* Item #: G129571View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(4-methylphenyl)sulfonylurea
- SMILES
- CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CC3CCCC3C2
- InChIKey
- BOVGTQGAOIONJV-UHFFFAOYSA-N
- InChI
- 1S/C15H21N3O3S/c1-11-5-7-14(8-6-11)22(20,21)17-15(19)16-18-9-12-3-2-4-13(12)10-18/h5-8,12-13H,2-4,9-10H2,1H3,(H2,16,17,19)
- Synonyms
- 1-[3-Azabicyclo[3.3.0]oct-3-yl]-3-p-toluenesulfonylurea | SCHEMBL16387 | SMR000542971 | STK803142 | BCP21240 | DTXCID...
- 5-Isopropyl-3-methylphenolSolid ≥95%● In Stock — US warehouse, ships to EU* Item #: I332087View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-methyl-5-propan-2-ylphenol
- SMILES
- CC1=CC(=CC(=C1)O)C(C)C
- InChIKey
- ZDUIHRJGDMTBEX-UHFFFAOYSA-N
- InChI
- 1S/C10H14O/c1-7(2)9-4-8(3)5-10(11)6-9/h4-7,11H,1-3H3
- Synonyms
- UNII-27O3KU2MLN | 5-Isopropyl-3-methylphenol | AKOS000120995 | 3-Methyl-5-(1-methylethyl)phenol | DTXSID6062915 | F91...
- Genz-644282CAS: 529488-28-6 Formula: C22H21N3O5 Molecular Weight: 407.42◐ .Made to order · 8–12 wks Item #: G126864View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 16,17-dimethoxy-21-[2-(methylamino)ethyl]-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-one
- SMILES
- CNCCN1C2=C(C=NC3=CC4=C(C=C32)OCO4)C5=CC(=C(C=C5C1=O)OC)OC
- InChIKey
- BAORCAMWLWRZQG-UHFFFAOYSA-N
- InChI
- 1S/C22H21N3O5/c1-23-4-5-25-21-14-8-19-20(30-11-29-19)9-16(14)24-10-15(21)12-6-17(27-2)18(28-3)7-13(12)22(25)26/h6-10,23H,4-5,11H2,1-3H3
- Synonyms
- 8,9-dimethoxy-2,3-methylenedioxy-5-[2-(n-methylamino)ethyl]-5h-dibenzo[c,h]1,6-naphthyridin-6-one | A870863 | AKOS030...
- MSA 2Moligand™ ? 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 warehouse, ships to EU* Item #: M288436View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(5,6-dimethoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid
- SMILES
- COC1=C(C=C2C(=C1)C=C(S2)C(=O)CCC(=O)O)OC
- InChIKey
- APCLRHPWFCQIMG-UHFFFAOYSA-N
- InChI
- 1S/C14H14O5S/c1-18-10-5-8-6-13(9(15)3-4-14(16)17)20-12(8)7-11(10)19-2/h5-7H,3-4H2,1-2H3,(H,16,17)
- Synonyms
- 4-(5,6-dimethoxybenzo[b]thiophen-2-yl)-4- oxobutanoic acid | E75421 | BS-46613 | MSA2 | MSA-2 | NSC828583 | NSC-82858...
- MTSEA-BIOTINCAPCAPCAPFormula: C31H56N6O7S3 Molecular Weight: 721.01◐ .Made to order · 8–12 wks Item #: M276351View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- N-Biotinylcaproylaminocaproylaminocaproylaminoethylmethanethiosulfonate
- NKH 477 (Colforsin daropate)◐ .Made to order · 8–12 wks Item #: N274677View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CC(=O)OC1C(C2C(CCC(C2(C3(C1(OC(CC3=O)(C)C=C)C)O)C)O)(C)C)OC(=O)CCN(C)C.Cl
- InChIKey
- VIRRLEDAYYYTOD-YHEOSNBFSA-N
- InChI
- show more
- Synonyms
- NKH 477, >=98% (HPLC), powder | 5-(Acetyloxy)-3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxododecahydro-1H...
- ApcinCAS: 300815-04-7 Formula: C13H14Cl3N7O4 Molecular Weight: 438.65● In Stock — US warehouse, ships to EU* Item #: A288130View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(2-methyl-5-nitroimidazol-1-yl)ethyl N-[2,2,2-trichloro-1-(pyrimidin-2-ylamino)ethyl]carbamate
- SMILES
- CC1=NC=C(N1CCOC(=O)NC(C(Cl)(Cl)Cl)NC2=NC=CC=N2)[N+](=O)[O-]
- InChIKey
- ZEXHXVOGJFGTRX-UHFFFAOYSA-N
- InChI
- 1S/C13H14Cl3N7O4/c1-8-19-7-9(23(25)26)22(8)5-6-27-12(24)21-10(13(14,15)16)20-11-17-3-2-4-18-11/h2-4,7,10H,5-6H2,1H3,(H,21,24)(H,17,18,20)
- Synonyms
- Apcin | BDBM50527906 | 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl N-{2,2,2-trichloro-1-[(pyrimidin-2-yl)amino]ethyl}c...
- Ginsenoside Rg3CAS: 38243-03-7 Formula: C42H72O13 Molecular Weight: 785.01● In Stock — US warehouse, ships to EU* Item #: G275332View ProductPricing & Pack Sizes
Technical Identifiers
- SMILES
- CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)C)O)C)O)C
- Synonyms
- (20R)-Ginsenoside Rg3 | (20R)-Propanaxadiol | R-ginsenoside Rg3
- NPS 2143 hydrochloride◐ .Made to order · 8–12 wks Item #: N275851View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-chloro-6-[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propoxy]benzonitrile;hydrochloride
- SMILES
- CC(C)(CC1=CC2=CC=CC=C2C=C1)NCC(COC3=C(C(=CC=C3)Cl)C#N)O.Cl
- InChIKey
- ZEBNDUQLNGYBNL-VEIFNGETSA-N
- InChI
- show more
- Synonyms
- HY-10171 | 2-chloro-6-[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propoxy]benzonitrile;hydrochlor...
- Givinostat hydrochloride monohydrateCAS: 732302-99-7 Formula: C24H27N3O4·HCl·H2O Molecular Weight: 475.97● In Stock — US warehouse, ships to EU* Item #: G129672View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [6-(diethylaminomethyl)naphthalen-2-yl]methyl N-[4-(hydroxycarbamoyl)phenyl]carbamate;hydrate;hydrochloride
- SMILES
- CCN(CC)CC1=CC2=C(C=C1)C=C(C=C2)COC(=O)NC3=CC=C(C=C3)C(=O)NO.O.Cl
- InChIKey
- FKGKZBBDJSKCIS-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- ITF2357,Givinostat, Gavinostat | Givinostat hydrochloride monohydrate; ITF-2357 hydrochloride monohydrate | UNII-6R2...
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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.