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).
Targets & Pathways
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Ready-to-screen compound libraries and focused sets for hit discovery. Browse libraries by target class, pathway, scaffold, or application, and review size, format, and compound information to build screening panels.Customize Your Screening Library to choose compounds, format, and volume, and we’ll prepare a ready-to-use set for you.Customize Your Screening Library
Ligand families
24,639Navigate 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
2,815PROTAC 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
102,615Explore 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)
19,694Find 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 —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
- metoclopramide hydrochloride, Serotonin 4 (5-HT4) receptor agonistCAS: 54143-57-6 EC Number: 641-713-2 PubChem CID: 441347 Formula: C14H25Cl2N3O3 Molecular Weight: 354.2710mM in DMSO● In Stock — US warehouse, ships to EU* Item #: M424624View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide;hydrate;hydrochloride
- SMILES
- CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl.O.Cl
- InChIKey
- KJBLQGHJOCAOJP-UHFFFAOYSA-N
- InChI
- 1S/C14H22ClN3O2.ClH.H2O/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3;;/h8-9H,4-7,16H2,1-3H3,(H,17,19);1H;1H2
- Synonyms
- 54143-57-6|Reglan|metoclopramide hydrochloride hydrate|metoclopramide hcl monohydrate|Metoclopramide hydrochloride mo...
- momordin-IcCAS: 96990-18-0 Formula: C41H64O13 Molecular Weight: 764.9410mM in DMSO● In Stock — US warehouse, ships to EU* Item #: M427177View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)O)O)C)C)C2C1)C)C(=O)O)C
- InChIKey
- HWYBGIDROCYPOE-WEAQAMGWSA-N
- InChI
- show more
- Synonyms
- Q-100908 | CCG-270448 | AC-34122 | HY-N0330 | Momordin Ic | Scoparianoside B | AKOS015897153 | DTXSID00914234 | MOMOR...
- mono-n-butyl esterCAS: 131-70-4 Formula: C12H14O4 Molecular Weight: 222.2410mM in DMSO● In Stock — US warehouse, ships to EU* Item #: M421229View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-butoxycarbonylbenzoic acid
- SMILES
- CCCCOC(=O)C1=CC=CC=C1C(=O)O
- InChIKey
- YZBOVSFWWNVKRJ-UHFFFAOYSA-N
- InChI
- 1S/C12H14O4/c1-2-3-8-16-12(15)10-7-5-4-6-9(10)11(13)14/h4-7H,2-3,8H2,1H3,(H,13,14)
- Synonyms
- PHTHALIC ACID, BUTYL ESTER | 1,2-Benzenedicarboxylicacid,1-butyl ester | 2-(Butoxycarbonyl)benzoic acid | P1132 | ZI4...
- momordin-IcCAS: 96990-18-0 Formula: C41H64O13 Molecular Weight: 764.94● In Stock — US warehouse, ships to EU* Item #: M414346View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)O)O)C)C)C2C1)C)C(=O)O)C
- InChIKey
- HWYBGIDROCYPOE-WEAQAMGWSA-N
- InChI
- show more
- Synonyms
- Q-100908 | CCG-270448 | AC-34122 | HY-N0330 | Momordin Ic | Scoparianoside B | AKOS015897153 | DTXSID00914234 | MOMOR...
- myo-Inositol-d6 Trispyrophosphate Hexasodium SaltCAS: 23103-35-7(unlabeled) Formula: C₆D₆Na₆O₂₁P₆ Molecular Weight: 743.92◐ .Made to order · 8–12 wks Item #: M332386View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- ITTP-d6 Hexasodium Salt | myo-Inositol-d6 Cyclic 1,2:3,4:5,6-Tris(dihydrogen pyrophosphate)) Hexasodium Salt | myo-In...
- n-Octyl caffeateCAS: 478392-41-5 Formula: C17H24O4 Molecular Weight: 292.37Solid ≥98%● In Stock — US warehouse, ships to EU* Item #: O275144View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- octyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
- SMILES
- CCCCCCCCOC(=O)C=CC1=CC(=C(C=C1)O)O
- InChIKey
- RXIINIWPQBLXAP-PKNBQFBNSA-N
- InChI
- 1S/C17H24O4/c1-2-3-4-5-6-7-12-21-17(20)11-9-14-8-10-15(18)16(19)13-14/h8-11,13,18-19H,2-7,12H2,1H3/b11-9+
- Synonyms
- Octyl(E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
- nickel(2+) trifluoroacetate◐ .Made to order · 8–12 wks Item #: N303034View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- nickel(2+);2,2,2-trifluoroacetate
- SMILES
- C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].[Ni+2]
- InChIKey
- VBLNFWKVZVKXPH-UHFFFAOYSA-L
- InChI
- 1S/2C2HF3O2.Ni/c2*3-2(4,5)1(6)7;/h2*(H,6,7);/q;;+2/p-2
- Synonyms
- Nickel(2+) trifluoroacetate|16083-14-0|EINECS 240-235-8|nickel(2+);2,2,2-trifluoroacetate|AI3-26112|Acetic acid, trif...
- o-3M3FBSCAS: 313981-55-4 Formula: C16H16F3NO2S Molecular Weight: 343.36● In Stock — US warehouse, ships to EU* Item #: O287723View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2,4,6-trimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
- SMILES
- CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC=CC=C2C(F)(F)F)C
- InChIKey
- SKJJIFRWCCSXGL-UHFFFAOYSA-N
- InChI
- 1S/C16H16F3NO2S/c1-10-8-11(2)15(12(3)9-10)23(21,22)20-14-7-5-4-6-13(14)16(17,18)19/h4-9,20H,1-3H3
- Synonyms
- BRD-K46384212-001-01-1 | SB83578 | HY-108608 | Q27164571 | SR-01000406988-2 | FT-0644407 | HMS3676N04 | HMS3268M14 | ...
- p-Nitropifithrin-alphaCAS: 389850-21-9 Formula: C15H16BrN3O3S Molecular Weight: 398.3◐ .Made to order · 8–12 wks Item #: N275114View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-nitrophenyl)ethanone;hydrobromide
- SMILES
- C1CCC2=C(C1)N(C(=N)S2)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-].Br
- InChIKey
- NXPCMOGORSWOLH-UHFFFAOYSA-N
- InChI
- 1S/C15H15N3O3S.BrH/c16-15-17(12-3-1-2-4-14(12)22-15)9-13(19)10-5-7-11(8-6-10)18(20)21;/h5-8,16H,1-4,9H2;1H
- Synonyms
- AKOS016032314 | 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-nitrophenyl)ethanone;hydrobromide | p-nitro...
- piroxicam-β-cyclodextrinSolid Piroxicam content:10%● In Stock — Germany Item #: P305038View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- show more
- InChIKey
- LBPBSKKEZXLVBQ-ZQOBQRRWSA-N
- InChI
- show more
- Synonyms
- Piroxicam-beta-cyclodextrin|Piroxicambeta-Cyclodextrin|121696-62-6|96684-39-8|Chf 1194|Chf-1194|SCHEMBL123958|SCHEMBL...
- phenyl 10-methyl-10λ4-acridine-9- carboxylate trifluoromethanesulfonate● In Stock — US warehouse, ships to EU* Item #: P305080View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- phenyl 10-methylacridin-10-ium-9-carboxylate;trifluoromethanesulfonate
- SMILES
- C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C(=O)OC4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]
- InChIKey
- RPYQDSABWVKCEJ-UHFFFAOYSA-M
- InChI
- 1S/C21H16NO2.CHF3O3S/c1-22-18-13-7-5-11-16(18)20(17-12-6-8-14-19(17)22)21(23)24-15-9-3-2-4-10-15;2-1(3,4)8(5,6)7/h2-14H,1H3;(H,5,6,7)/q+1;/p-1
- rac 3-O-Methyl DOPA● In Stock — US warehouse, ships to EU* Item #: R332752View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-amino-3-(4-hydroxy-3-methoxyphenyl)propanoic acid
- SMILES
- COC1=C(C=CC(=C1)CC(C(=O)O)N)O
- InChIKey
- PFDUUKDQEHURQC-UHFFFAOYSA-N
- InChI
- 1S/C10H13NO4/c1-15-9-5-6(2-3-8(9)12)4-7(11)10(13)14/h2-3,5,7,12H,4,11H2,1H3,(H,13,14)
- Synonyms
- L-3-(4-Hydroxy-3-methoxy-d3-phenyl)alanine | PD043826 | DTXSID50864098 | 2-amino-3-(4-hydroxy-3-methoxyphenyl)propano...
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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.