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
24,635Navigate 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
102,622Explore 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.
Products
- Exo-1CAS: 461681-88-9 Formula: C15H12FNO3 Molecular Weight: 273.26● In Stock — US Item #: E274910View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- methyl 2-[(4-fluorobenzoyl)amino]benzoate
- SMILES
- COC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)F
- InChIKey
- KIAPWMKFHIKQOZ-UHFFFAOYSA-N
- InChI
- 1S/C15H12FNO3/c1-20-15(19)12-4-2-3-5-13(12)17-14(18)10-6-8-11(16)9-7-10/h2-9H,1H3,(H,17,18)
- Synonyms
- CHEBI:93386 | Q27165089 | FT-0644702 | HMS3268K08 | EXOCYTIC INHIBITOR 1;2-[(4-Fluorobenzoyl)amino]benzoic acid methy...
- Fmoc-9-Amino-4,7-Dioxanonanoic acid● In Stock — US Item #: F122096View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]propanoic acid
- SMILES
- C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCOCCOCCC(=O)O
- InChIKey
- QWHLFJJLRVOHTM-UHFFFAOYSA-N
- InChI
- 1S/C22H25NO6/c24-21(25)9-11-27-13-14-28-12-10-23-22(26)29-15-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,20H,9-15H2,(H,23,26)(H,24,25)
- Synonyms
- Adenine,N-benzyl-9-(tetrahydro-2H-pyran-2-yl)-(8ci) | 3-[2-[2-[(9H-Fluoren-9-ylmethoxy)carbonylamino]ethoxy]ethoxy]pr...
- Iohexol, Diagnostic agentSolid ≥98%● In Stock — US Item #: I134719View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-[acetyl(2,3-dihydroxypropyl)amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
- SMILES
- CC(=O)N(CC(CO)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I
- InChIKey
- NTHXOOBQLCIOLC-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- ioexolo | OMNIPAQUE 12 | SR-01000838892 | N,N'-Bis(2,3-dihydroxypropyl)-5-(N-(2,3-dihydroxypropyl)acetamido)-2,4,6-tr...
- KifunensineSolid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%● In Stock — US Item #: K274698View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (5R,6R,7S,8R,8aS)-6,7,8-trihydroxy-5-(hydroxymethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2,3-dione
- SMILES
- C(C1C(C(C(C2N1C(=O)C(=O)N2)O)O)O)O
- InChIKey
- OIURYJWYVIAOCW-PQMKYFCFSA-N
- InChI
- 1S/C8H12N2O6/c11-1-2-3(12)4(13)5(14)6-9-7(15)8(16)10(2)6/h2-6,11-14H,1H2,(H,9,15)/t2-,3-,4+,5+,6+/m1/s1
- Synonyms
- FR-900494 | (5R,6R,7S,8R,8aS)-6,7,8-trihydroxy-5-(hydroxymethyl)hexahydroimidazo[1,2-a]pyridine-2,3-dione
- TMN 355● In Stock — US Item #: T287318View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-chloro-N-(9H-fluoren-9-ylcarbamoyl)-6-fluorobenzamide
- SMILES
- C1=CC=C2C(=C1)C(C3=CC=CC=C32)NC(=O)NC(=O)C4=C(C=CC=C4Cl)F
- InChIKey
- SFNLLCUAISZNRV-UHFFFAOYSA-N
- InChI
- 1S/C21H14ClFN2O2/c22-16-10-5-11-17(23)18(16)20(26)25-21(27)24-19-14-8-3-1-6-12(14)13-7-2-4-9-15(13)19/h1-11,19H,(H2,24,25,26,27)
- Synonyms
- 2-Chloro-N-[(9H-fluoren-9-ylamino)carbonyl]-6-fluorobenzamide
- T2AA● In Stock — US Item #: T275562View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[4-[(2S)-2-amino-3-hydroxypropyl]-2,6-diiodophenoxy]phenol
- SMILES
- C1=CC(=CC=C1O)OC2=C(C=C(C=C2I)CC(CO)N)I
- InChIKey
- NKOSKXJRVWVXRI-JTQLQIEISA-N
- InChI
- 1S/C15H15I2NO3/c16-13-6-9(5-10(18)8-19)7-14(17)15(13)21-12-3-1-11(20)2-4-12/h1-4,6-7,10,19-20H,5,8,18H2/t10-/m0/s1
- Synonyms
- (βS)-β-Amino-4-(4-hydroxyphenoxy)-3,5-diiodobenzenpropanol
- 2,4,6-Trimethyl-N,N-diphenylaniline● In Stock — US Item #: T304110View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2,4,6-trimethyl-N,N-diphenylaniline
- SMILES
- CC1=CC(=C(C(=C1)C)N(C2=CC=CC=C2)C3=CC=CC=C3)C
- InChIKey
- TZJRFZZCRASCAW-UHFFFAOYSA-N
- InChI
- 1S/C21H21N/c1-16-14-17(2)21(18(3)15-16)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15H,1-3H3
- Synonyms
- 2,4,6-Trimethyl-N,N-diphenylaniline|603134-65-2|1333317-99-9|N,N-diphenyl-2,4,6-triMethyl aniline|SCHEMBL3477723|DTXS...
- TaurolidineCAS: 19388-87-5 EC Number: 243-016-5 PubChem CID: 29566 Formula: C7H16N4O4S2 Molecular Weight: 284.36● In Stock — US Item #: T131824View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[(1,1-dioxo-1,2,4-thiadiazinan-4-yl)methyl]-1,2,4-thiadiazinane 1,1-dioxide
- SMILES
- C1CS(=O)(=O)NCN1CN2CCS(=O)(=O)NC2
- InChIKey
- AJKIRUJIDFJUKJ-UHFFFAOYSA-N
- InChI
- 1S/C7H16N4O4S2/c12-16(13)3-1-10(5-8-16)7-11-2-4-17(14,15)9-6-11/h8-9H,1-7H2
- Synonyms
- Taurolin | Tauroline | 4,4'-Methylenebis[tetrahydro-2H-1,2,4-thiadiazine] 1,1,1',1'-tetraoxide
- Kobe0065CAS: 436133-68-5 Formula: C15H11ClF3N5O4S Molecular Weight: 449.79● In Stock — US Item #: K276196View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-(3-chloro-4-methylphenyl)-3-[2,6-dinitro-4-(trifluoromethyl)anilino]thiourea
- SMILES
- CC1=C(C=C(C=C1)NC(=S)NNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])Cl
- InChIKey
- KSJVAYBCXSURMQ-UHFFFAOYSA-N
- InChI
- 1S/C15H11ClF3N5O4S/c1-7-2-3-9(6-10(7)16)20-14(29)22-21-13-11(23(25)26)4-8(15(17,18)19)5-12(13)24(27)28/h2-6,21H,1H3,(H2,20,22,29)
- Synonyms
- AS-16550 | EX-A370 | N-(3-chloro-4-methylphenyl)-2-(2,6-dinitro-4-(trifluoromethyl)phenyl)hydrazinecarbothioamide. | ...
- TMP-153◐ .Made to order · 8–12 wks Item #: T275108View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-[4-(2-chlorophenyl)-6,7-dimethylquinolin-3-yl]-3-(2,4-difluorophenyl)urea
- SMILES
- CC1=CC2=C(C(=CN=C2C=C1C)NC(=O)NC3=C(C=C(C=C3)F)F)C4=CC=CC=C4Cl
- InChIKey
- FFKNNBNIAHVVCU-UHFFFAOYSA-N
- InChI
- 1S/C24H18ClF2N3O/c1-13-9-17-21(10-14(13)2)28-12-22(23(17)16-5-3-4-6-18(16)25)30-24(31)29-20-8-7-15(26)11-19(20)27/h3-12H,1-2H3,(H2,29,30,31)
- Synonyms
- SCHEMBL4100046 | CDQDU | BDBM50038923 | N-(4-(2-Chlorophenyl)-6,7-dimethyl-3-quinolinyl)-N'-(2,4-difluorophenyl)urea ...
- UBP 301◐ .Made to order · 8–12 wks Item #: U288472View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[[3-[(2S)-2-amino-2-carboxyethyl]-5-iodo-2,6-dioxopyrimidin-1-yl]methyl]benzoic acid
- SMILES
- C1=CC(=CC=C1CN2C(=O)C(=CN(C2=O)CC(C(=O)O)N)I)C(=O)O
- InChIKey
- JHSYCOCOIYSZGI-NSHDSACASA-N
- InChI
- 1S/C15H14IN3O6/c16-10-6-18(7-11(17)14(23)24)15(25)19(12(10)20)5-8-1-3-9(4-2-8)13(21)22/h1-4,6,11H,5,7,17H2,(H,21,22)(H,23,24)/t11-/m0/s1
- Synonyms
- (αS)-α-Amino-3-[(4-carboxyphenyl)methyl]-3,4-dihydro-5-iodo-2,4-dioxo-1(2H)-pyrimidinepropanoic acid
- L-152,804CAS: 6508-43-6 Formula: C23H26O4 Molecular Weight: 366.46● In Stock — US Item #: L288948View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(3,3-dimethyl-1-oxo-4,9-dihydro-2H-xanthen-9-yl)-5,5-dimethylcyclohexane-1,3-dione
- SMILES
- CC1(CC(=O)C(C(=O)C1)C2C3=CC=CC=C3OC4=C2C(=O)CC(C4)(C)C)C
- InChIKey
- XQDXIHYKAGHZRX-UHFFFAOYSA-N
- InChI
- 1S/C23H26O4/c1-22(2)9-14(24)20(15(25)10-22)19-13-7-5-6-8-17(13)27-18-12-23(3,4)11-16(26)21(18)19/h5-8,19-20H,9-12H2,1-4H3
- Synonyms
- SCHEMBL1119012 | EC-000.2413 | SR-01000030470 | SR-01000030470-1 | 1,3-Cyclohexanedione, 5,5-dimethyl-2-(2,3,4,9-tetr...
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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.