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
24,643Navigate 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
102,640Explore 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)
19,704Find 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)
8,783Shop 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
- [2,2'-Bipyridine]-4,4'-diyldiboronic acidCAS: 159614-36-5 Formula: C10H10B2N2O4 Molecular Weight: 243.81● In Stock — US Item #: B303023View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [2-(4-boronopyridin-2-yl)pyridin-4-yl]boronic acid
- SMILES
- B(C1=CC(=NC=C1)C2=NC=CC(=C2)B(O)O)(O)O
- InChIKey
- RYFWHZWLDULHHF-UHFFFAOYSA-N
- InChI
- 1S/C10H10B2N2O4/c15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10/h1-6,15-18H
- Synonyms
- Boronic acid, B,B'-[2,2'-bipyridine]-4,4'-diylbis- | [4'-(dihydroxyboranyl)-[2,2'-bipyridin]-4-yl]boronic acid | [2,2...
- PROLI NONOate◐ .Made to order · 8–12 wks Item #: P332350View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- disodium;1-[oxido(oxidoimino)azaniumyl]pyrrolidine-2-carboxylate
- SMILES
- C1CC(N(C1)[N+](=N[O-])[O-])C(=O)[O-].[Na+].[Na+]
- InChIKey
- BWIOFDWWAQUTIZ-UHFFFAOYSA-L
- InChI
- 1S/C5H9N3O4.2Na/c9-5(10)4-2-1-3-7(4)8(12)6-11;;/h4,11H,1-3H2,(H,9,10);;/q;2*+1/p-2
- Synonyms
- 1-(hydroxy-NNO-azoxy)-L-proline, disodium salt
- PRT 4165● In Stock — US Item #: P275629View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(pyridin-3-ylmethylidene)indene-1,3-dione
- SMILES
- C1=CC=C2C(=C1)C(=O)C(=CC3=CN=CC=C3)C2=O
- InChIKey
- OMHZFEWYVFWVLI-UHFFFAOYSA-N
- InChI
- 1S/C15H9NO2/c17-14-11-5-1-2-6-12(11)15(18)13(14)8-10-4-3-7-16-9-10/h1-9H
- Synonyms
- DTXSID90185032 | 2-(3-PYRIDYLMETHYLENE)-1,3-INDANDIONE | PRT4165, >=98% (HPLC) | UNII-J625FJL5DX | EX-A811 | NSC60015...
- IoversolCAS: 87771-40-2 Formula: C18H24I3N3O9 Molecular Weight: 807.12● In Stock — US Item #: I347557View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-N,3-N-bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxamide
- SMILES
- C(CO)N(C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)CO
- InChIKey
- AMDBBAQNWSUWGN-UHFFFAOYSA-N
- InChI
- 1S/C18H24I3N3O9/c19-13-11(17(32)22-3-8(29)5-26)14(20)16(24(1-2-25)10(31)7-28)15(21)12(13)18(33)23-4-9(30)6-27/h8-9,25-30H,1-7H2,(H,22,32)(H,23,33)
- Synonyms
- 1-N,3-N-bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxamide |...
- PF-4981517CAS: 1390637-82-7 Formula: C26H32N8 Molecular Weight: 456.59● In Stock — US Item #: E129750View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-methyl-3-[1-methyl-5-(4-methylphenyl)pyrazol-4-yl]-4-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]pyrazolo[3,4-d]pyrimidine
- SMILES
- CC1=CC=C(C=C1)C2=C(C=NN2C)C3=NN(C4=C3C(=NC=N4)N5CCC(C5)N6CCCCC6)C
- InChIKey
- WDWIMDKOXZZYHH-FQEVSTJZSA-N
- InChI
- show more
- Synonyms
- DTXSID60747404 | PF 04981517 | PF-04981517 | (S)-1-methyl-3-(1-methyl-5-(p-tolyl)-1H-pyrazol-4-yl)-4-(3-(piperidin-1-...
- NH2-PEG4-COOH● In Stock — US Item #: N164042View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoic acid
- SMILES
- C(COCCOCCOCCOCCN)C(=O)O
- InChIKey
- DKUZHSDZSMQOGQ-UHFFFAOYSA-N
- InChI
- 1S/C11H23NO6/c12-2-4-16-6-8-18-10-9-17-7-5-15-3-1-11(13)14/h1-10,12H2,(H,13,14)
- Synonyms
- Amino-dPEG4-acid | FT-0775002 | 3-[2-[2-[2-(2-Aminoethoxy)ethoxy]ethoxy] ethoxy]propionic acid | 3-Amino(peg4)propion...
- PI 103 hydrochloride● In Stock — US Item #: P286602View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenol;hydrochloride
- SMILES
- C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O.Cl
- InChIKey
- XSQMYBFFYPTMFE-UHFFFAOYSA-N
- InChI
- 1S/C19H16N4O3.ClH/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23;/h1-6,11,24H,7-10H2;1H
- Synonyms
- PI-103Hydrochloride | PI 103 HYDROCHLORIDE | C19H16N4O3.HCl | PI-103, Hydrochloride | 3-[4-(4-Morpholinylpyrido[3',2'...
- PF-5274857CAS: 1373615-35-0 Formula: C20H25ClN4O3S Molecular Weight: 436.96Solid ≥98%● In Stock — US Item #: P126554View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-[4-[5-chloro-4-(3,5-dimethylpyridin-2-yl)pyridin-2-yl]piperazin-1-yl]-3-methylsulfonylpropan-1-one
- SMILES
- CC1=CC(=C(N=C1)C2=CC(=NC=C2Cl)N3CCN(CC3)C(=O)CCS(=O)(=O)C)C
- InChIKey
- BBVNTTZIOTWDSV-UHFFFAOYSA-N
- InChI
- 1S/C20H25ClN4O3S/c1-14-10-15(2)20(23-12-14)16-11-18(22-13-17(16)21)24-5-7-25(8-6-24)19(26)4-9-29(3,27)28/h10-13H,4-9H2,1-3H3
- Synonyms
- HY-13459 | NCGC00346696-06 | SCHEMBL2715391 | EX-A3007 | MLS006011067 | 1-(4-(5'-chloro-3,5-dimethyl-[2,4'-bipyridin]...
- Hydroxybupropion-d8CAS: 1309283-18-8 Formula: C13H10D8ClNO2 Molecular Weight: 263.79● In Stock — US Item #: H353854View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-(3-chlorophenyl)-2-[[1,1,1,3,3,3-hexadeuterio-2-[dideuterio(hydroxy)methyl]propan-2-yl]amino]propan-1-one
- SMILES
- CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)CO
- InChIKey
- AKOAEVOSDHIVFX-IBKKAOJUSA-N
- InChI
- 1S/C13H18ClNO2/c1-9(15-13(2,3)8-16)12(17)10-5-4-6-11(14)7-10/h4-7,9,15-16H,8H2,1-3H3/i2D3,3D3,8D2
- Synonyms
- 1-(3-chlorophenyl)-2-[[1,1,1,3,3,3-hexadeuterio-2-[dideuterio(hydroxy)methyl]propan-2-yl]amino]propan-1-one
- PF-573228● In Stock — US Item #: P129814View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 6-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one
- SMILES
- CS(=O)(=O)C1=CC=CC(=C1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)CC4
- InChIKey
- HESLKTSGTIBHJU-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- P4N | PF-573228, >=95% (HPLC) | 4-(4-nitrophenyl)-1-acetylpiperazine | MLS006011194 | PF-228 | FT-0719732 | NCGC00263...
- [1,1'-Biphenyl]-4-amine, 4',4''',4''''',4'''''''-(1,2-ethenediylidene)tetrakis[N,N-diphenyl-CAS: 1416786-56-5 Formula: C98H72N4 Molecular Weight: 1305.65◐ .Made to order · 8–12 wks Item #: B302839View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N,N-diphenyl-4-[4-[1,2,2-tris[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]aniline
- SMILES
- show more
- InChIKey
- VEBOVVTUHBQNPW-UHFFFAOYSA-N
- InChI
- show more
- PIK-293CAS: 900185-01-5 Formula: C22H19N7O Molecular Weight: 397.43● In Stock — US Item #: P129615View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one
- SMILES
- CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C5=NC=NC(=C5C=N4)N
- InChIKey
- KQDBVHKNIYROHU-UHFFFAOYSA-N
- InChI
- 1S/C22H19N7O/c1-13-6-3-4-9-17(13)29-18(27-16-8-5-7-14(2)19(16)22(29)30)11-28-21-15(10-26-28)20(23)24-12-25-21/h3-10,12H,11H2,1-2H3,(H2,23,24,25)
- Synonyms
- MFCD20272930 | NCGC00346579-02 | 2-((4-amino-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)-5-methyl-3-o-tolylquinazolin-4(...
![[2,2'-Bipyridine]-4,4'-diyldiboronic acid - 97%, used for , CAS No. 159614-36-5, by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/B/3/B303023.png)
![[1,1'-Biphenyl]-4-amine, 4',4''',4''''',4'''''''-(1,2-ethenediylidene)tetrakis[N,N-diphenyl- - ≥98% CAS No(1416786-56-5) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/B/3/B302839.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.
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