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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.
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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
- Sodium 2-(4-methoxyphenoxy)propanoic acidCAS: 150436-68-3 EC Number: 604-737-4 PubChem CID: 23670520 Formula: C10H11NaO4 Molecular Weight: 218.18● In Stock — US Item #: S338208View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- sodium;2-(4-methoxyphenoxy)propanoate
- SMILES
- CC(C(=O)[O-])OC1=CC=C(C=C1)OC.[Na+]
- InChIKey
- SKORRGYRKQDXRS-UHFFFAOYSA-M
- InChI
- 1S/C10H12O4.Na/c1-7(10(11)12)14-9-5-3-8(13-2)4-6-9;/h3-7H,1-2H3,(H,11,12);/q;+1/p-1
- Synonyms
- Propanoic acid, 2-(4-methoxyphenoxy)-, sodium salt | (-)-2-(4-methoxyphenoxy) propionic acid sodium salt | AS-13339 |...
- Boc-S-benzyl-L-cysteine N-hydroxysuccinimide esterCAS: 85097-54-7 Formula: C19H24N2O6S Molecular Weight: 408.47● In Stock — US Item #: B356634View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2,5-dioxopyrrolidin-1-yl) 3-benzylsulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
- SMILES
- CC(C)(C)OC(=O)NC(CSCC1=CC=CC=C1)C(=O)ON2C(=O)CCC2=O
- InChIKey
- TVSSLLYGMLXNIC-UHFFFAOYSA-N
- InChI
- 1S/C19H24N2O6S/c1-19(2,3)26-18(25)20-14(12-28-11-13-7-5-4-6-8-13)17(24)27-21-15(22)9-10-16(21)23/h4-8,14H,9-12H2,1-3H3,(H,20,25)
- Synonyms
- N-(TERT-BUTOXYCARBONYL)-S-BENZYLCYSTEINE N-HYDROXYSUCCINIMIDE ESTER | 4,6-DICHLOROQUINOLINE-3-CARBOXYLATE | NSC334325...
- Boc-S-ethyl-L-cysteine dicyclohexylammonium saltCAS: 25461-01-2(free basis) Formula: C22H42N2O4S2(free basis) Molecular Weight: 462.72(free basis)◐ .Made to order · 8–12 wks Item #: B356847View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2R)-3-(ethyldisulfanyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
- SMILES
- CCSSCC(C(=O)O)NC(=O)OC(C)(C)C
- InChIKey
- NRPCSVNXHSEWLO-ZETCQYMHSA-N
- InChI
- 1S/C10H19NO4S2/c1-5-16-17-6-7(8(12)13)11-9(14)15-10(2,3)4/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13)/t7-/m0/s1
- Synonyms
- (2R)-2-{[(tert-butoxy)carbonyl]amino}-3-(ethyldisulfanyl)propanoic acid | (2R)-3-(ethyldisulfanyl)-2-[(2-methylpropan...
- ParbendazoleCAS: 14255-87-9 EC Number: 238-133-3 PubChem CID: 26596 Formula: C13H17N3O2 Molecular Weight: 247.29● In Stock — US Item #: P302858View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- methyl N-(6-butyl-1H-benzimidazol-2-yl)carbamate
- SMILES
- CCCCC1=CC2=C(C=C1)N=C(N2)NC(=O)OC
- InChIKey
- YRWLZFXJFBZBEY-UHFFFAOYSA-N
- InChI
- 1S/C13H17N3O2/c1-3-4-5-9-6-7-10-11(8-9)15-12(14-10)16-13(17)18-2/h6-8H,3-5H2,1-2H3,(H2,14,15,16,17)
- Synonyms
- 5-Butyl-2-(carbomethoxyamino)benzimidazole | BRD-K02407574-001-04-8 | DTXCID8025410 | SKF-29044 | HMS1571M22 | NSC256...
- SirReal 2● In Stock — US Item #: S287379View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
- SMILES
- CC1=CC(=NC(=N1)SCC(=O)NC2=NC=C(S2)CC3=CC=CC4=CC=CC=C43)C
- InChIKey
- MENNDDDTIIZDDN-UHFFFAOYSA-N
- InChI
- 1S/C22H20N4OS2/c1-14-10-15(2)25-22(24-14)28-13-20(27)26-21-23-12-18(29-21)11-17-8-5-7-16-6-3-4-9-19(16)17/h3-10,12H,11,13H2,1-2H3,(H,23,26,27)
- Synonyms
- 2-[(4,6-Dimethyl-2-pyrimidinyl)thio]-N-[5-(1-naphthalenylmethyl)-2-thiazolyl]acetamide
- Ammonium octamolybdate● In Stock — US Item #: A302284View ProductPricing & Pack Sizes
Technical Identifiers
- Dihydrocapsaicin● In Stock — US Item #: D110202View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide
- SMILES
- CC(C)CCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC
- InChIKey
- XJQPQKLURWNAAH-UHFFFAOYSA-N
- InChI
- 1S/C18H29NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h10-12,14,20H,4-9,13H2,1-3H3,(H,19,21)
- Synonyms
- DIHYDROCAPSAICIN (CONSTITUENT OF CAPSICUM) | D77924 | HMS3649N17 | NCGC00015645-02 | AKOS016009558 | CCRIS1589 | Dihy...
- Etomoxir (Na salt)CAS: 828934-41-4 Formula: C15H18ClO4·Na Molecular Weight: 320.74● In Stock — US Item #: E304730View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- sodium;(2R)-2-[6-(4-chlorophenoxy)hexyl]oxirane-2-carboxylate
- SMILES
- C1C(O1)(CCCCCCOC2=CC=C(C=C2)Cl)C(=O)[O-].[Na+]
- InChIKey
- RPACBEVZENYWOL-XFULWGLBSA-M
- InChI
- 1S/C15H19ClO4.Na/c16-12-5-7-13(8-6-12)19-10-4-2-1-3-9-15(11-20-15)14(17)18;/h5-8H,1-4,9-11H2,(H,17,18);/q;+1/p-1/t15-;/m1./s1
- Synonyms
- FD10620 | 828934-41-4 (sodium) | J-500930 | (R)-Etomoxir sodium | s8244 | (+)-Etomoxir sodium salt | MFCD07787411 | N...
- Acetyl-4-benzoyl-D-phenylalanineCAS: 104504-42-9 Formula: C18H17NO4 Molecular Weight: 311.33● In Stock — US Item #: A354246View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2R)-2-acetamido-3-(4-benzoylphenyl)propanoic acid
- SMILES
- CC(=O)NC(CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)C(=O)O
- InChIKey
- WLYJTWQCNXWBRA-MRXNPFEDSA-N
- InChI
- 1S/C18H17NO4/c1-12(20)19-16(18(22)23)11-13-7-9-15(10-8-13)17(21)14-5-3-2-4-6-14/h2-10,16H,11H2,1H3,(H,19,20)(H,22,23)/t16-/m1/s1
- Synonyms
- Ac-p-Bz-D-Phe-OH | MFCD00672369 | SCHEMBL10622597 | (R)-2-Acetamido-3-(4-benzoylphenyl)propanoic acid | AKOS025294010...
- Acetyl-4-bromo-DL-phenylalanineCAS: 273730-59-9 Formula: C11H12BrNO3 Molecular Weight: 286.12● In Stock — US Item #: A354218View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-acetamido-3-(4-bromophenyl)propanoic acid
- SMILES
- CC(=O)NC(CC1=CC=C(C=C1)Br)C(=O)O
- InChIKey
- LDCUXIARELPUCD-UHFFFAOYSA-N
- InChI
- 1S/C11H12BrNO3/c1-7(14)13-10(11(15)16)6-8-2-4-9(12)5-3-8/h2-5,10H,6H2,1H3,(H,13,14)(H,15,16)
- Synonyms
- FT-0608715 | SCHEMBL502447 | F2147-6553 | 2-acetamido-3-(4-bromophenyl)propanoic acid | Acetyl-4-bromo-DL-phenylalani...
- Acetyl-D-homophenylalanineCAS: 63393-59-9 Formula: C12H15NO3 Molecular Weight: 221.25◐ .Made to order · 8–12 wks Item #: A354404View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2R)-2-acetamido-4-phenylbutanoic acid
- SMILES
- CC(=O)NC(CCC1=CC=CC=C1)C(=O)O
- InChIKey
- CNQZAOFOKXXEOB-LLVKDONJSA-N
- InChI
- 1S/C12H15NO3/c1-9(14)13-11(12(15)16)8-7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,13,14)(H,15,16)/t11-/m1/s1
- Synonyms
- Oprea1_802941 | RDM | DTXSID00384357 | Acetyl-D-Homophenylalanine | CCG-42367 | AM83536 | (2R)-2-acetamido-4-phenylbu...
- Acetyl-L-homoserine lactoneCAS: 51524-71-1 Formula: C6H9NO3 Molecular Weight: 143.14● In Stock — US Item #: A333729View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[(3S)-2-oxooxolan-3-yl]acetamide
- SMILES
- CC(=O)NC1CCOC1=O
- InChIKey
- XGSXMDQVYYCSDA-YFKPBYRVSA-N
- InChI
- 1S/C6H9NO3/c1-4(8)7-5-2-3-10-6(5)9/h5H,2-3H2,1H3,(H,7,8)/t5-/m0/s1
- Synonyms
- 1-phenylazo-2-naphthol
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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.