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
24,642Navigate 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
102,634Explore 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)
19,701Find 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
- BML-190CAS: 2854-32-2 Formula: C23H23ClN2O4 Molecular Weight: 426.89● In Stock — US Item #: B126713View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-1-morpholin-4-ylethanone
- SMILES
- CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)N4CCOCC4
- InChIKey
- BJSDNVVWJYDOLK-UHFFFAOYSA-N
- InChI
- 1S/C23H23ClN2O4/c1-15-19(14-22(27)25-9-11-30-12-10-25)20-13-18(29-2)7-8-21(20)26(15)23(28)16-3-5-17(24)6-4-16/h3-8,13H,9-12,14H2,1-2H3
- Synonyms
- SR-01000075946-1 | 2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)-1-morpholinoethan-1-one | 2-(1-(4-Chlorob...
- Acrivastine, Histamine H1 receptor antagonist● In Stock — US Item #: A151022View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (E)-3-[6-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridin-2-yl]prop-2-enoic acid
- SMILES
- CC1=CC=C(C=C1)C(=CCN2CCCC2)C3=CC=CC(=N3)C=CC(=O)O
- InChIKey
- PWACSDKDOHSSQD-IUTFFREVSA-N
- InChI
- 1S/C22H24N2O2/c1-17-7-9-18(10-8-17)20(13-16-24-14-2-3-15-24)21-6-4-5-19(23-21)11-12-22(25)26/h4-13H,2-3,14-16H2,1H3,(H,25,26)/b12-11+,20-13+
- Synonyms
- AKOS005067182 | BW270C | Tox21_113015 | A916142 | PWACSDKDOHSSQD-IUTFFREVSA-N | 2-Propenoic acid, 3-(6-(1-(4-methylph...
- BMY 7378 dihydrochloride● In Stock — US Item #: B129688View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione;dihydrochloride
- SMILES
- COC1=CC=CC=C1N2CCN(CC2)CCN3C(=O)CC4(CCCC4)CC3=O.Cl.Cl
- InChIKey
- NIBOMXUDFLRHRV-UHFFFAOYSA-N
- InChI
- 1S/C22H31N3O3.2ClH/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22;;/h2-3,6-7H,4-5,8-17H2,1H3;2*1H
- Synonyms
- SR-01000075542-3 | 8-[2-[4-(2-Methoxyphenyl)-1-piperazinyl]ethyl-8-azaspiro[4.5]decane-7,9-dione dihydrochloride | 8-...
- Balaglitazone, Peroxisome proliferator-activated receptor gamma partial agonistCAS: 199113-98-9 Formula: C20H17N3O4S Molecular Weight: 395.43Solid ≥98%● In Stock — US Item #: B125827View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
- SMILES
- CN1C(=NC2=CC=CC=C2C1=O)COC3=CC=C(C=C3)CC4C(=O)NC(=O)S4
- InChIKey
- IETKPTYAGKZLKY-UHFFFAOYSA-N
- InChI
- 1S/C20H17N3O4S/c1-23-17(21-15-5-3-2-4-14(15)19(23)25)11-27-13-8-6-12(7-9-13)10-16-18(24)22-20(26)28-16/h2-9,16H,10-11H2,1H3,(H,22,24,26)
- Synonyms
- DRF2593 | NN 2344 | (+-)-5-(p-((3,4-Dihydro-3-methyl-4-oxo-2-quinazolinyl)methoxy)benzyl)-2,4-thiazolidinedione | UNI...
- Moxonidine hydrochlorideCAS: 75536-04-8 Formula: C9H12ClN5O.HCl Molecular Weight: 278.14◐ .Made to order · 8–12 wks Item #: M274658View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine;hydrochloride
- SMILES
- CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC.Cl
- InChIKey
- ZZPAWQYZQVUVHX-UHFFFAOYSA-N
- InChI
- 1S/C9H12ClN5O.ClH/c1-5-13-7(10)6(8(14-5)16-2)15-9-11-3-4-12-9;/h3-4H2,1-2H3,(H2,11,12,15);1H
- Synonyms
- 5RYW07SK5E | EU-0100753 | MOXONIDINE HCl | SR-01000075981-1 | UNII-5RYW07SK5E | BDF-5895 | BCP9000964 | NCGC00094094-...
- APS-2-79Solid ≥98%● In Stock — US Item #: A275508View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 6,7-dimethoxy-N-(2-methyl-4-phenoxyphenyl)quinazolin-4-amine;hydrochloride
- SMILES
- CC1=C(C=CC(=C1)OC2=CC=CC=C2)NC3=NC=NC4=CC(=C(C=C43)OC)OC.Cl
- InChIKey
- LIXKSHWZJNNZHG-UHFFFAOYSA-N
- InChI
- 1S/C23H21N3O3.ClH/c1-15-11-17(29-16-7-5-4-6-8-16)9-10-19(15)26-23-18-12-21(27-2)22(28-3)13-20(18)24-14-25-23;/h4-14H,1-3H3,(H,24,25,26);1H
- Synonyms
- 6,7-dimethoxy-N-(2-methyl-4-phenoxyphenyl)quinazolin-4-amine hydrochloride | 6,7-dimethoxy-N-(2-methyl-4-phenoxypheny...
- Thieno[2,3-d]pyrimidin-4-ylamineSolid ≥98%● In Stock — US Item #: T347658View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- thieno[2,3-d]pyrimidin-4-amine
- SMILES
- C1=CSC2=NC=NC(=C21)N
- InChIKey
- DYTQGJLVGDSCLF-UHFFFAOYSA-N
- InChI
- 1S/C6H5N3S/c7-5-4-1-2-10-6(4)9-3-8-5/h1-3H,(H2,7,8,9)
- Synonyms
- DYTQGJLVGDSCLF-UHFFFAOYSA-N | thieno[2,3-d]pyrimidin-4-amine | Z316122296 | AB1043 | EN300-247083 | Thieno[2,3-d]pyri...
- Mucin, Bovine Submaxillary GlandCAS: 84195-52-8 EC Number: 282-357-4Biological Stain ? Biological stain grade — dyes characterized for staining cells and tissues. Use in histology and microscopy where staining consistency matters.● In Stock — US Item #: M304751View ProductPricing & Pack Sizes
Technical Identifiers
- AMG 837 hemicalcium salt◐ .Made to order · 8–12 wks Item #: A286688View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- calcium;(3S)-3-[4-[[3-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]hex-4-ynoate
- SMILES
- CC#CC(CC(=O)[O-])C1=CC=C(C=C1)OCC2=CC(=CC=C2)C3=CC=C(C=C3)C(F)(F)F.CC#CC(CC(=O)[O-])C1=CC=C(C=C1)OCC2=CC(=CC=C2)C3=CC=C(C=C3)C(F)(F)F.[Ca+2]
- InChIKey
- WCZAHGONZBHQSA-HRQBZJEISA-L
- InChI
- show more
- Synonyms
- (βS)-β-1-Propyn-1-yl-4-[[4'-(trifluoromethyl)[1,1'-biphenyl]-3-yl]methoxy]benzenepropanoic acid hemicalcium salt
- Mycophenolate Mofetil● In Stock — US Item #: M302247View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-morpholin-4-ylethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate
- SMILES
- CC1=C2COC(=O)C2=C(C(=C1OC)CC=C(C)CCC(=O)OCCN3CCOCC3)O
- InChIKey
- RTGDFNSFWBGLEC-SYZQJQIISA-N
- InChI
- 1S/C23H31NO7/c1-15(5-7-19(25)30-13-10-24-8-11-29-12-9-24)4-6-17-21(26)20-18(14-31-23(20)27)16(2)22(17)28-3/h4,26H,5-14H2,1-3H3/b15-4+
- Synonyms
- mycophenolate mofetil|128794-94-5|CellCept|115007-34-6|Myfenax|RS 61443|myclausen|RS-61443|TM-MMF|Mycophenylate mofet...
- APY 29CAS: 1216665-49-4 Formula: C17H16N8 Molecular Weight: 332.36Solid ≥98%(HPLC)● In Stock — US Item #: A288548View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-N-(3H-benzimidazol-5-yl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
- SMILES
- C1CC1C2=CC(=NN2)NC3=NC(=NC=C3)NC4=CC5=C(C=C4)N=CN5
- InChIKey
- WJNBSTLIALIIEW-UHFFFAOYSA-N
- InChI
- 1S/C17H16N8/c1-2-10(1)13-8-16(25-24-13)22-15-5-6-18-17(23-15)21-11-3-4-12-14(7-11)20-9-19-12/h3-10H,1-2H2,(H,19,20)(H3,18,21,22,23,24,25)
- Synonyms
- (E)-N-(6-((5-cyclopropyl-1H-pyrazol-3-yl)imino)-1,6-dihydropyrimidin-2-yl)-1H-benzo[d]imidazol-6-amine | N2-1H-Benzim...
- AR 420626CAS: 1798310-55-0 Formula: C21H18Cl2N2O3 Molecular Weight: 417.29● In Stock — US Item #: A287232View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-(2,5-dichlorophenyl)-4-(furan-2-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
- SMILES
- CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=CO3)C(=O)NC4=C(C=CC(=C4)Cl)Cl
- InChIKey
- GGTYQECCGLBHGS-UHFFFAOYSA-N
- InChI
- 1S/C21H18Cl2N2O3/c1-11-18(21(27)25-15-10-12(22)7-8-13(15)23)20(17-6-3-9-28-17)19-14(24-11)4-2-5-16(19)26/h3,6-10,20,24H,2,4-5H2,1H3,(H,25,27)
- Synonyms
- N-(2,5-Dichlorophenyl)-4-(furan-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide | AR420626
![Thieno[2,3-d]pyrimidin-4-ylamine - ≥98% CAS No(14080-56-9) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/6360e336b2a70951114dbd37294096ee/T/3/T347658.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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