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
24,635Navigate 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
102,623Explore 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)
19,695Find 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)
8,779Shop 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.
Popular Products
- Fmoc-(2-thienyl)-D-beta-homoalanineCAS: 269726-90-1 Formula: C23H21NO4S Molecular Weight: 407.48● In Stock — US warehouse, ships to EU* Item #: F338333View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-thiophen-2-ylbutanoic acid
- SMILES
- C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC4=CC=CS4)CC(=O)O
- InChIKey
- BESSJJJDKGERSD-HNNXBMFYSA-N
- InChI
- show more
- Synonyms
- Fmoc-(R)-3-amino-4-(2-thienyl)-butyric Acid
- Fmoc-(2-thienyl)-L-beta-homoalanineCAS: 270262-98-1 Formula: C23H21NO4S Molecular Weight: 407.49● In Stock — US warehouse, ships to EU* Item #: F338323View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-thiophen-2-ylbutanoic acid
- SMILES
- C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC4=CC=CS4)CC(=O)O
- InChIKey
- BESSJJJDKGERSD-OAHLLOKOSA-N
- InChI
- show more
- Synonyms
- Fmoc-(S)-3-amino-4-(2-thienyl)-butyric Acid
- Harmol Hydrochloride● In Stock — US warehouse, ships to EU* Item #: H345402View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one;hydrochloride
- SMILES
- CC1=C2C(=C3C=CC(=O)C=C3N2)C=CN1.Cl
- InChIKey
- RBOUBJPHXSVUTH-UHFFFAOYSA-N
- InChI
- 1S/C12H10N2O.ClH/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12;/h2-6,13-14H,1H3;1H
- Synonyms
- BH175460 | NCGC00094972-01 | NCGC00094972-02 | NSC 640470 | HMS1921N14 | 1-Methyl-2,9-dihydro-7H-pyrido[3,4-b]indol-7...
- Bax channel blocker● In Stock — US warehouse, ships to EU* Item #: B287163View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride
- SMILES
- C1CN(CCN1)CC(CN2C3=C(C=C(C=C3)Br)C4=C2C=CC(=C4)Br)O.Cl.Cl
- InChIKey
- HWFKCAFKXZFOQT-UHFFFAOYSA-N
- InChI
- 1S/C19H21Br2N3O.2ClH/c20-13-1-3-18-16(9-13)17-10-14(21)2-4-19(17)24(18)12-15(25)11-23-7-5-22-6-8-23;;/h1-4,9-10,15,22,25H,5-8,11-12H2;2*1H
- Synonyms
- J-019229 | NCGC00092317-01 | 3,6-DIBROMO-ALPHA-(1-PIPERAZINYLMETHYL)-9H-CARBAZOLE-9-ETHANOL DIHYDROCHLORIDE | 1-(3,6-...
- Bay 61-3606 hydrochlorideCAS: 732983-37-8 Formula: C20H18N6O3 Molecular Weight: 390.40Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%◐ .Made to order · 8–12 wks Item #: B275245View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]pyridine-3-carboxamide
- SMILES
- COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=N2)NC4=C(C=CC=N4)C(=O)N)OC
- InChIKey
- JWQOJVOKBAAAAR-UHFFFAOYSA-N
- InChI
- 1S/C20H18N6O3/c1-28-15-6-5-12(10-16(15)29-2)14-11-17-22-8-9-26(17)20(24-14)25-19-13(18(21)27)4-3-7-23-19/h3-11H,1-2H3,(H2,21,27)(H,23,24,25)
- Synonyms
- 2-[[7-(3,4-Dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]pyridine-3-carboxamidehydrochloride
- Heptafluoroisopropyl acrylate● In Stock — US warehouse, ships to EU* Item #: H353187View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1,1,1,2,3,3,3-heptafluoropropan-2-yl prop-2-enoate
- SMILES
- C=CC(=O)OC(C(F)(F)F)(C(F)(F)F)F
- InChIKey
- JTCVKNUSIGHJRG-UHFFFAOYSA-N
- InChI
- 1S/C6H3F7O2/c1-2-3(14)15-4(7,5(8,9)10)6(11,12)13/h2H,1H2
- Synonyms
- 1,1,1,2,3,3,3-heptafluoropropan-2-yl prop-2-enoate | AKOS007930596 | DTXSID70156624 | Heptafluoroisopropyl acrylate |...
- KebuzoneCAS: 853-34-9 Formula: C19H18N2O3 Molecular Weight: 322.36● In Stock — US warehouse, ships to EU* Item #: K357102View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(3-oxobutyl)-1,2-diphenylpyrazolidine-3,5-dione
- SMILES
- CC(=O)CCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3
- InChIKey
- LGYTZKPVOAIUKX-UHFFFAOYSA-N
- InChI
- 1S/C19H18N2O3/c1-14(22)12-13-17-18(23)20(15-8-4-2-5-9-15)21(19(17)24)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3
- Synonyms
- 1,2-Diphenyl-4-(gamma-ketobutyl)-3,5-pyrazolidinedione | Chepirol | HY-111284 | Ketophenylbutazonum | EINECS 212-715-...
- Bax Channel Blocker◐ .Made to order · 8–12 wks Item #: B276142View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride
- SMILES
- C1CN(CCN1)CC(CN2C3=C(C=C(C=C3)Br)C4=C2C=CC(=C4)Br)O.Cl.Cl
- InChIKey
- HWFKCAFKXZFOQT-UHFFFAOYSA-N
- InChI
- 1S/C19H21Br2N3O.2ClH/c20-13-1-3-18-16(9-13)17-10-14(21)2-4-19(17)24(18)12-15(25)11-23-7-5-22-6-8-23;;/h1-4,9-10,15,22,25H,5-8,11-12H2;2*1H
- Synonyms
- 1-(3,6-Dibromo-9H-carbazol-9-yl)-3-(piperazin-1-yl)propan-2-oltrifluoroacetate
- Oxotremorine sesquifumarateCAS: 17360-35-9 PubChem CID: 6436473 Formula: C12H18N2O · 1.5C4H4O4 · xH2O Molecular Weight: 380.39 (anhydrous basis)● In Stock — US warehouse, ships to EU* Item #: O275069View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (E)-but-2-enedioic acid;1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one
- SMILES
- C1CCN(C1)CC#CCN2CCCC2=O.C1CCN(C1)CC#CCN2CCCC2=O.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O
- InChIKey
- WLYYOFJEBGHKEC-VQYXCCSOSA-N
- InChI
- 1S/2C12H18N2O.3C4H4O4/c2*15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13;3*5-3(6)1-2-4(7)8/h2*1-2,5-11H2;3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+
- Synonyms
- 1-[4-(1-Pyrrolidinyl)-2-butynyl]-2-pyrrolidinone sesquifumarate
- Sodium Dehydrocholate● In Stock — US warehouse, ships to EU* Item #: S302899View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CC(CCC(=O)[O-])C1CCC2C1(C(=O)CC3C2C(=O)CC4C3(CCC(=O)C4)C)C.[Na+]
- InChIKey
- FKJIJBSJQSMPTI-CAOXKPNISA-M
- InChI
- show more
- Synonyms
- Biliron | Dycholium | Sodium 3,7,12-trioxo-5-beta-cholan-24-oate | Sodium 3,7,12-trioxo-5beta-cholan-24-oate | Q27292...
- Sodium Hydrogen Ferric DTPACAS: 12389-75-2 EC Number: 235-627-0 PubChem CID: 71306927 Formula: C14H19FeN3NaO10 Molecular Weight: 468.15● In Stock — Germany Item #: S302278View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- sodium;2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetate;iron
- SMILES
- C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)[O-].[Na+].[Fe]
- InChIKey
- QPYLVHZXLVRPDD-UHFFFAOYSA-M
- InChI
- show more
- Synonyms
- Sodium hydrogen ferric diethylenetriaminepentacetate | Sodium hydrogen ferric diethylenetriaminepentaacetate | AKOS02...
- Adenine Hydrochloride HemihydrateCAS: 2922-28-3 EC Number: 220-867-0 Formula: C5H5N5·HCl· 1/2H2O Molecular Weight: 171.59 (anhydrous basis)Solid ≥99%● In Stock — US warehouse, ships to EU* Item #: A129851View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 7H-purin-6-amine;hydrochloride
- SMILES
- C1=NC2=NC=NC(=C2N1)N.Cl
- InChIKey
- UQVDQSWZQXDUJB-UHFFFAOYSA-N
- InChI
- 1S/C5H5N5.ClH/c6-4-3-5(9-1-7-3)10-2-8-4;/h1-2H,(H3,6,7,8,9,10);1H
- Synonyms
- SMR000875287 | 6-Aminopurine (hydrochloride); Vitamin B4 (hydrochloride) | AM83909 | cis-4-thujanol | BCP9000234 | Is...
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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.