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
- SKF 83822 hydrobromideCAS: 74115-10-9 EC Number: 804-137-4 PubChem CID: 12909789 Formula: C20H22ClNO2•HBr Molecular Weight: 424.76◐ .Made to order · 8–12 wks Item #: S288078View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 9-chloro-5-(3-methylphenyl)-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol;hydrobromide
- SMILES
- CC1=CC(=CC=C1)C2CN(CCC3=C(C(=C(C=C23)O)O)Cl)CC=C.Br
- InChIKey
- CFWPKYBBXBANLU-UHFFFAOYSA-N
- InChI
- 1S/C20H22ClNO2.BrH/c1-3-8-22-9-7-15-16(11-18(23)20(24)19(15)21)17(12-22)14-6-4-5-13(2)10-14;/h3-6,10-11,17,23-24H,1,7-9,12H2,2H3;1H
- Synonyms
- UNII-2377D7H0WG | 6-Chloro-2,3,4,5-tetrahydro-1-(3-methylphenyl)-3-(2-propenyl)-1H-3-benzazepine-7,8-diolhydrobromide...
- SKF 83959 hydrobromideCAS: 67287-95-0 Formula: C18H21BrClNO2 Molecular Weight: 398.73Solid Moligand™ ? 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 #: S288574View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 9-chloro-3-methyl-5-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol;hydrobromide
- SMILES
- CC1=CC(=CC=C1)C2CN(CCC3=C(C(=C(C=C23)O)O)Cl)C.Br
- InChIKey
- FHYWNBUFNGHNCP-UHFFFAOYSA-N
- InChI
- 1S/C18H20ClNO2.BrH/c1-11-4-3-5-12(8-11)15-10-20(2)7-6-13-14(15)9-16(21)18(22)17(13)19;/h3-5,8-9,15,21-22H,6-7,10H2,1-2H3;1H
- Synonyms
- EU-0101067 | MLS002153381 | SR-01000076126-2 | 1H-3-Benzazepine-7,8-diol, 6-chloro-2,3,4,5-tetrahydro-3-methyl-1-(3-m...
- O4I2Solid ≥98%(HPLC)● In Stock — US Item #: O286975View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- ethyl 2-(4-chloroanilino)-1,3-thiazole-4-carboxylate
- SMILES
- CCOC(=O)C1=CSC(=N1)NC2=CC=C(C=C2)Cl
- InChIKey
- ULUBAPWNHROTEU-UHFFFAOYSA-N
- InChI
- 1S/C12H11ClN2O2S/c1-2-17-11(16)10-7-18-12(15-10)14-9-5-3-8(13)4-6-9/h3-7H,2H2,1H3,(H,14,15)
- Synonyms
- BP-12618 | 4-Thiazolecarboxylic acid, 2-[(4-chlorophenyl)amino]-, ethyl ester | CCG-267272 | O4I2, >=98% (HPLC) | DTX...
- O8 OGG1 InhibitorCAS: 350997-39-6 Formula: C9H6Cl2N2OS Molecular Weight: 261.13● In Stock — US Item #: O287618View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3,4-dichloro-1-benzothiophene-2-carbohydrazide
- SMILES
- C1=CC2=C(C(=C1)Cl)C(=C(S2)C(=O)NN)Cl
- InChIKey
- HSSHUDKWJRJKPV-UHFFFAOYSA-N
- InChI
- 1S/C9H6Cl2N2OS/c10-4-2-1-3-5-6(4)7(11)8(15-5)9(14)13-12/h1-3H,12H2,(H,13,14)
- Synonyms
- AB00102917-01 | AKOS003956278 | BBL037375 | Cambridge id 6132595 | 3,4-dichlorobenzo[b]thiophene-2-carbohydrazide | H...
- OAC-2CAS: 6019-39-2 Formula: C15H12N2O Molecular Weight: 236.27● In Stock — US Item #: O288060View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-(1H-indol-5-yl)benzamide
- SMILES
- C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)NC=C3
- InChIKey
- JCAFGYWSIWYMOX-UHFFFAOYSA-N
- InChI
- 1S/C15H12N2O/c18-15(11-4-2-1-3-5-11)17-13-6-7-14-12(10-13)8-9-16-14/h1-10,16H,(H,17,18)
- Synonyms
- MLS000860608 | JCAFGYWSIWYMOX-UHFFFAOYSA-N | EX-A906 | J-690331 | SMR000458692 | 6-[(2-Amino-4-pyrimidinyl)oxy]-N-[3-...
- Boc-4-aminobenzoic acid N-hydroxysuccinimide esterCAS: 120465-50-1 Formula: C16H18N2O6 Molecular Weight: 334.3● In Stock — US Item #: B356483View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2,5-dioxopyrrolidin-1-yl) 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
- SMILES
- CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)ON2C(=O)CCC2=O
- InChIKey
- CVLCMHYNOJASNT-UHFFFAOYSA-N
- InChI
- 1S/C16H18N2O6/c1-16(2,3)23-15(22)17-11-6-4-10(5-7-11)14(21)24-18-12(19)8-9-13(18)20/h4-7H,8-9H2,1-3H3,(H,17,22)
- Synonyms
- tert-Butyl (4-{[(2,5-dioxopyrrolidin-1-yl)oxy]carbonyl}phenyl)carbamate | MFCD00798632 | Boc-PABA-OSu | DTXSID4056269...
- Boc-4-fluoro-DL-phenylalanineCAS: 79561-25-4 Formula: C14H18FNO4 Molecular Weight: 283.29Solid ≥97%● In Stock — US Item #: B356641View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
- SMILES
- CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)F)C(=O)O
- InChIKey
- RCXSXRAUMLKRRL-UHFFFAOYSA-N
- InChI
- 1S/C14H18FNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)
- Synonyms
- AB03048 | 2-{[(tert-butoxy)carbonyl]amino}-3-(4-fluorophenyl)propanoic acid | N10784 | PD196817 | Boc-P-Fluoro-Dl-Phe...
- Emamectin benzoate● In Stock — US Item #: E396669View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)NC)OC)OC)C)C.C1=CC=C(C=C1)C(=O)O
- InChIKey
- GCKZANITAMOIAR-XWVCPFKXSA-N
- InChI
- show more
- Synonyms
- (4/'/'R)-4/'/'-DEOXY-4/'/'-(METHYLAMINO)AVERMECTIN B1 BENZOATE | SCHEMBL4291571 | Emamectin Benzoate, 90% | AKOS02531...
- NE 100 hydrochlorideCAS: 149409-57-4 Formula: C23H33NO2•HCl Molecular Weight: 391.97● In Stock — US Item #: N286812View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine;hydrochloride
- SMILES
- CCCN(CCC)CCC1=CC(=C(C=C1)OC)OCCC2=CC=CC=C2.Cl
- InChIKey
- ZHGMDXSHODHWHV-UHFFFAOYSA-N
- InChI
- 1S/C23H33NO2.ClH/c1-4-15-24(16-5-2)17-13-21-11-12-22(25-3)23(19-21)26-18-14-20-9-7-6-8-10-20;/h6-12,19H,4-5,13-18H2,1-3H3;1H
- Synonyms
- NE-100 (hydrochloride) | 4-Methoxy-3-(2-phenylethoxy)-N,N-dipropylbenzeneethanamine hydrochloride | NE100 HCl | NE-10...
- Omeprazole sodiumCAS: 95510-70-6 Formula: C17H18N3NaO3S Molecular Weight: 367.41● In Stock — US Item #: O305031View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- sodium;5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]benzimidazol-1-ide
- SMILES
- CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC.[Na+]
- InChIKey
- RYXPMWYHEBGTRV-UHFFFAOYSA-N
- InChI
- 1S/C17H18N3O3S.Na/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17;/h5-8H,9H2,1-4H3;/q-1;+1
- Synonyms
- D01207 | BCP9000660 | Monosodium (RS)-5-Methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-1H-benzoimi...
- Boc-L-Tyr(Bzl)-olCAS: 66605-58-1 Formula: C21H27NO4 Molecular Weight: 357.44Solid ≥98%● In Stock — US Item #: B356814View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- tert-butyl N-[(2S)-1-hydroxy-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate
- SMILES
- CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)CO
- InChIKey
- FOMAWYQEBPYJJU-SFHVURJKSA-N
- InChI
- 1S/C21H27NO4/c1-21(2,3)26-20(24)22-18(14-23)13-16-9-11-19(12-10-16)25-15-17-7-5-4-6-8-17/h4-12,18,23H,13-15H2,1-3H3,(H,22,24)/t18-/m0/s1
- Synonyms
- Boc-L-Tyr(Bzl)-ol | tert-Butyl (S)-(1-(4-(benzyloxy)phenyl)-3-hydroxypropan-2-yl)carbamate | A917815 | MFCD00235956 |...
- ALW-II-41-27CAS: 1186206-79-0 Formula: C32H32F3N5O2S Molecular Weight: 607.69● In Stock — US Item #: A127683View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]-5-thiophen-2-ylpyridine-3-carboxamide
- SMILES
- CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)NC(=O)C4=CN=CC(=C4)C5=CC=CS5)C(F)(F)F
- InChIKey
- HYWXBDQAYLPMIX-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- EX-A2618 | ALW-II-41-27 | HMS3333E20 | BCP26205 | HMS2043H01 | HY-18007 | SCHEMBL20136698 | N-[5-({4-[(4-Ethylpiperaz...
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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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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.