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).
By Target / Pathway / Disease
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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
24,635Navigate 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
- Boc-N'-Nitro-L-homoarginine● In Stock — US Item #: B356988View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2S)-6-[[amino(nitramido)methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
- SMILES
- CC(C)(C)OC(=O)NC(CCCCN=C(N)N[N+](=O)[O-])C(=O)O
- InChIKey
- YFIPSHDRWHZYOM-QMMMGPOBSA-N
- InChI
- 1S/C12H23N5O6/c1-12(2,3)23-11(20)15-8(9(18)19)6-4-5-7-14-10(13)16-17(21)22/h8H,4-7H2,1-3H3,(H,15,20)(H,18,19)(H3,13,14,16)/t8-/m0/s1
- Synonyms
- Boc-HomoArg(NO2)-OH | (S,E)-2-((tert-butoxy(hydroxy)methylene)amino)-6-(3-nitroguanidino)hexanoic acid | Boc-HoArg(NO...
- Boc-O-acetyl-L-tyrosineCAS: 80971-82-0 Formula: C16H21NO6 Molecular Weight: 323.34● In Stock — US Item #: B356640View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2S)-3-(4-acetyloxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
- SMILES
- CC(=O)OC1=CC=C(C=C1)CC(C(=O)O)NC(=O)OC(C)(C)C
- InChIKey
- SDJFTIPPLLFDSG-ZDUSSCGKSA-N
- InChI
- 1S/C16H21NO6/c1-10(18)22-12-7-5-11(6-8-12)9-13(14(19)20)17-15(21)23-16(2,3)4/h5-8,13H,9H2,1-4H3,(H,17,21)(H,19,20)/t13-/m0/s1
- Synonyms
- Boc-Tyr(AC)-OH
- Guanosine-¹³C,¹⁵N2 HydrateCAS: 197227-95-5 Formula: C913CH13N3¹⁵N2O5·xH2O Molecular Weight: 286.22（anhydrous basis）◐ .Made to order · 8–12 wks Item #: G355272View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(15N)azanyl-9-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
- SMILES
- C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N
- InChIKey
- NYHBQMYGNKIUIF-YLZKFVMUSA-N
- InChI
- 1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5+,6?,9-/m1/s1/i10+1,11+1,14+1
- Synonyms
- 2-(~15~N)Amino-9-[(2xi)-beta-D-threo-pentofuranosyl](2-~13~C,1-~15~N)-3,9-dihydro-6H-purin-6-one | DTXSID30747870 | G...
- Trimethyl pyridine-2,4,6-tricarboxylateCAS: 25309-39-1 EC Number: 867-100-1 PubChem CID: 12560765 Formula: C11H11NO6 Molecular Weight: 253.21Solid ≥98%● In Stock — US Item #: T303226View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- trimethyl pyridine-2,4,6-tricarboxylate
- SMILES
- COC(=O)C1=CC(=NC(=C1)C(=O)OC)C(=O)OC
- InChIKey
- RJRVGJDUSQEIGG-UHFFFAOYSA-N
- InChI
- 1S/C11H11NO6/c1-16-9(13)6-4-7(10(14)17-2)12-8(5-6)11(15)18-3/h4-5H,1-3H3
- Synonyms
- DS-19402 | pyridine-2,4,6-tricarboxylic acid trimethyl ester | AKOS030524088 | YSZC271 | MFCD26792768 | Trimethylpyri...
- Boc-aza-DL-leucineCAS: 851653-36-6 Formula: C10H20N2O4 Molecular Weight: 232.28● In Stock — US Item #: B355615View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
- SMILES
- CC(C)(C)OC(=O)NC(CN(C)C)C(=O)O
- InChIKey
- VCDQZVYJKDSORW-UHFFFAOYSA-N
- InChI
- 1S/C10H20N2O4/c1-10(2,3)16-9(15)11-7(8(13)14)6-12(4)5/h7H,6H2,1-5H3,(H,11,15)(H,13,14)
- Synonyms
- 2-{[(tert-butoxy)carbonyl]amino}-3-(dimethylamino)propanoic acid | Boc-beta-N,N-Dimethylamino-D-Ala | MFCD04972270 | ...
- Gaboxadol Hydrochloride● In Stock — US Item #: G134556View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one;hydrochloride
- SMILES
- C1CNCC2=C1C(=O)NO2.Cl
- InChIKey
- ZDZDSZQYRBZPNN-UHFFFAOYSA-N
- InChI
- 1S/C6H8N2O2.ClH/c9-6-4-1-2-7-3-5(4)10-8-6;/h7H,1-3H2,(H,8,9);1H
- Synonyms
- THIP hydrochloride | 478RVH3TVD | UNII-478RVH3TVD | SMR000875361 | 4,5,6,7-TETRAHYDROISOXAZOLO[5,4-C]PYRIDIN-3-OL HCL...
- H-Leu-Leu-OMe Hydrochloride● In Stock — US Item #: H356924View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoate;hydrochloride
- SMILES
- CC(C)CC(C(=O)NC(CC(C)C)C(=O)OC)N.Cl
- InChIKey
- RVXQFTNCULOWRV-ACMTZBLWSA-N
- InChI
- 1S/C13H26N2O3.ClH/c1-8(2)6-10(14)12(16)15-11(7-9(3)4)13(17)18-5;/h8-11H,6-7,14H2,1-5H3,(H,15,16);1H/t10-,11-;/m0./s1
- Synonyms
- HY-129905 | H-Leu-leu-OMe hydrochloride | L-Leucyl-L-Leucine methyl ester (hydrochloride) | Leucylleucine methyl este...
- Silodosin, Alpha-1a adrenergic receptor antagonistCAS: 160970-54-7 EC Number: 814-909-2 PubChem CID: 5312125 Formula: C25H32F3N3O4 Molecular Weight: 495.53Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99%● In Stock — US Item #: S126595View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-(3-hydroxypropyl)-5-[(2R)-2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-2,3-dihydroindole-7-carboxamide
- SMILES
- NC(C1=CC(C[C@@H](C)NCCOC2=C(OCC(F)(F)F)C=CC=C2)=CC3=C1N(CCCO)CC3)=O
- InChIKey
- PNCPYILNMDWPEY-QGZVFWFLSA-N
- InChI
- show more
- Synonyms
- (r)-1-(3-hydroxypropyl)-5-(2-(2-(2-(2,2,2-trifluoroethoxy)phenoxy)ethylamino)propyl)indoline-7-carboxamide | 2,3-DIHY...
- Boc-O-benzyl-L-tyrosine 4-nitrophenyl ester◐ .Made to order · 8–12 wks Item #: B357018View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (4-nitrophenyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoate
- SMILES
- CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]
- InChIKey
- VTUXNRKFFGSUAE-DEOSSOPVSA-N
- InChI
- show more
- Synonyms
- AKOS025404092 | MFCD00024658 | EINECS 236-849-0 | DTXSID40928890 | (4-nitrophenyl) (2S)-2-[(2-methylpropan-2-yl)oxyca...
- Boc-Phe-Pro-OHCAS: 23420-32-8 Formula: C19H26N2O5 Molecular Weight: 362.43● In Stock — US Item #: B355375View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid
- SMILES
- CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)O
- InChIKey
- ZPRHVPHDENDZTP-GJZGRUSLSA-N
- InChI
- show more
- Synonyms
- (2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid | DTXSID203328...
- GW843682X◐ .Made to order · 8–12 wks Item #: G127325View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-(5,6-dimethoxybenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide
- SMILES
- COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC
- InChIKey
- JSKUWFIZUALZLX-UHFFFAOYSA-N
- InChI
- 1S/C22H18F3N3O4S/c1-30-16-7-14-15(8-17(16)31-2)28(11-27-14)19-9-18(20(33-19)21(26)29)32-10-12-5-3-4-6-13(12)22(23,24)25/h3-9,11H,10H2,1-2H3,(H2,26,29)
- Synonyms
- UNII-D130E8V1ON | BFHKYHMCIAMQIN-UHFFFAOYSA-N | HMS3677H06 | NSC756404 | NSC-756404 | GW 843682X; GW-843682X | SCHEMB...
- Gap26 trifluoroacetateCAS: 197250-15-0(free base) Formula: C70H107N19O19S(free base) Molecular Weight: 1550.78 (free base basis)● In Stock — US Item #: G275476View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- Gap 26 trifluoroacetate, Gap-26 trifluoroacetate, L-Arginine, L-valyl-L-cysteinyl-L-tyrosyl-L-?-aspartyl-L-lysyl-L-se...
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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.