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
24,653Navigate 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
2,814PROTAC 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
102,664Explore 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)
8,793Shop 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
- XL 413 hydrochloride● In Stock — US Item #: X287123View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 8-chloro-2-[(2S)-pyrrolidin-2-yl]-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;hydrochloride
- SMILES
- C1CC(NC1)C2=NC3=C(C(=O)N2)OC4=C3C=C(C=C4)Cl.Cl
- InChIKey
- UNDKJUKLBNARIZ-FVGYRXGTSA-N
- InChI
- 1S/C14H12ClN3O2.ClH/c15-7-3-4-10-8(6-7)11-12(20-10)14(19)18-13(17-11)9-2-1-5-16-9;/h3-4,6,9,16H,1-2,5H2,(H,17,18,19);1H/t9-;/m0./s1
- Synonyms
- 1169562-71-3 | XL413 hydrochloride | AKOS025147371 | Xl413 HCl | DISODIUM CROMOLYN [INCI] | MFCD28023577 | BMS-863233...
- PentylenetetrazoleSolid ≥98%● In Stock — US Item #: P103065View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine
- SMILES
- C1CCC2=NN=NN2CC1
- InChIKey
- CWRVKFFCRWGWCS-UHFFFAOYSA-N
- InChI
- 1S/C6H10N4/c1-2-4-6-7-8-9-10(6)5-3-1/h1-5H2
- Synonyms
- Deumacard | Nauranzol | NSC66489 | Pentamethylenetetrazal | Kardiazol | Corasol | TT87 | Delzol-W | Naurazol | Corvas...
- Xanomeline oxalate● In Stock — US Item #: X275657View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-hexoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole;oxalic acid
- SMILES
- CCCCCCOC1=NSN=C1C2=CCCN(C2)C.C(=O)(C(=O)O)O
- InChIKey
- ZJOUESNWCLASJP-UHFFFAOYSA-N
- InChI
- 1S/C14H23N3OS.C2H2O4/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12;3-1(4)2(5)6/h8H,3-7,9-11H2,1-2H3;(H,3,4)(H,5,6)
- Synonyms
- BCP11070 | LY246708 oxalate | Oxalic acid--5-[4-(hexyloxy)-1,2,5-thiadiazol-3-yl]-1-methyl-1,2,3,6-tetrahydropyridine...
- XEN445● In Stock — US Item #: X167460View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-5-(trifluoromethyl)benzoic acid
- SMILES
- C1CN(CC1OCC2=CC=CC=N2)C3=C(C=C(C=C3)C(F)(F)F)C(=O)O
- InChIKey
- NBGRERFNOKZQLO-AWEZNQCLSA-N
- InChI
- 1S/C18H17F3N2O3/c19-18(20,21)12-4-5-16(15(9-12)17(24)25)23-8-6-14(10-23)26-11-13-3-1-2-7-22-13/h1-5,7,9,14H,6,8,10-11H2,(H,24,25)/t14-/m0/s1
- Synonyms
- (S)-2-(3-(Pyridin-2-ylmethoxy)pyrrolidin-1-yl)-5-(trifluoromethyl)benzoic acid
- XL335, Bile acid receptor FXR agonistCAS: 629664-81-9 EC Number: 109-928-1 PubChem CID: 10026128 Formula: C25H24F2N2O3 Molecular Weight: 438.48● In Stock — US Item #: W127756View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- propan-2-yl 3-(3,4-difluorobenzoyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate
- SMILES
- CC(C)OC(=O)C1=CN(CC(C2=C1NC3=CC=CC=C32)(C)C)C(=O)C4=CC(=C(C=C4)F)F
- InChIKey
- INASOKQDNHHMRE-UHFFFAOYSA-N
- InChI
- 1S/C25H24F2N2O3/c1-14(2)32-24(31)17-12-29(23(30)15-9-10-18(26)19(27)11-15)13-25(3,4)21-16-7-5-6-8-20(16)28-22(17)21/h5-12,14,28H,13H2,1-4H3
- Synonyms
- WAY 362450 | AS-55045 | s2694 | WAY-362450; XL335; FXR-450 | XL 335 | isopropyl 3-(3,4-difluorobenzoyl)-1,1-dimethyl-...
- Pep-1◐ .Made to order · 8–12 wks Item #: P276368View ProductPricing & Pack Sizes
Technical Identifiers
- Peptide YY (3-36) human TFACAS: 123583-37-9(free) Formula: C182H280N53O56F3 Molecular Weight: 4163.6● In Stock — US Item #: P295022View ProductPricing & Pack Sizes
Technical Identifiers
- PA 8CAS: 878437-15-1 EC Number: 825-313-7 PubChem CID: 135511602 Formula: C17H18N4O4 Molecular Weight: 342.35● In Stock — US Item #: P286844View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-amino-5-(3-methoxy-4-prop-2-enoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
- SMILES
- COC1=C(C=CC(=C1)C2CC(=O)NC3=C2C(=O)NC(=N3)N)OCC=C
- InChIKey
- DCSWTWUTSKSXOV-UHFFFAOYSA-N
- InChI
- 1S/C17H18N4O4/c1-3-6-25-11-5-4-9(7-12(11)24-2)10-8-13(22)19-15-14(10)16(23)21-17(18)20-15/h3-5,7,10H,1,6,8H2,2H3,(H4,18,19,20,21,22,23)
- Synonyms
- MS-25238 | Z2734706286 | AT33706 | AKOS021652775 | PA-8 | HMS3431D05 | HY-133529 | SCHEMBL23547113 | EN300-1721635 | ...
- Xenin 8 TFACAS: 117442-28-1(free) Formula: C53H80F3N15O11 Molecular Weight: 1160.29● In Stock — US Item #: X397053View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- Xenin 8
- Peptone from soybeanCAS: 91079-46-8 EC Number: 293-434-7Solid BioReagent ? BioReagent grade — tested suitable for life-science and molecular-biology use. Use for cell culture, assays, and biochemical work needing biological compatibility. CellNourish™ Basic ? CellNourish™ Basic — cost-efficient culture media for routine cell growth. Use for standard maintenance and expansion where premium media aren't needed. N≥8%● In Stock — US Item #: P304957View ProductPricing & Pack Sizes
Technical Identifiers
- Yangonin● In Stock — US Item #: Y276449View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-methoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyran-2-one
- SMILES
- COC1=CC=C(C=C1)C=CC2=CC(=CC(=O)O2)OC
- InChIKey
- XLHIYUYCSMZCCC-VMPITWQZSA-N
- InChI
- 1S/C15H14O4/c1-17-12-6-3-11(4-7-12)5-8-13-9-14(18-2)10-15(16)19-13/h3-10H,1-2H3/b8-5+
- Synonyms
- CCG-208617 | YANGONIN [MI] | 4-Methoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-pyran-2-one | 4-methoxy-6-[2-(4-methoxyp...
- YIL 781 hydrochloride◐ .Made to order · 8–12 wks Item #: Y287105View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 6-(4-fluorophenoxy)-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one;hydrochloride
- SMILES
- CC1=NC2=C(C=C(C=C2)OC3=CC=C(C=C3)F)C(=O)N1CC4CCCN(C4)C(C)C.Cl
- InChIKey
- QQGRMONBDBMLSP-FERBBOLQSA-N
- InChI
- show more
- Synonyms
- YIL781 HCl | YIL 781 HCl | 6-(4-Fluorophenoxy)-2-methyl-3-[[(3S)-1-(1-methylethyl)-3-piperidinyl]methyl]-4(3H)-quinaz...
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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.