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
24,643Navigate 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
102,640Explore 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)
19,704Find 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)
8,783Shop 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
- AC187（TFA）CAS: 151804-77-2 (free base) Formula: C129H206F3N37O42 Molecular Weight: 3004.27● In Stock — US Item #: A274784View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- AC 187
- Pilaralisib (XL147), PI3-kinase class I inhibitorCAS: 934526-89-3 EC Number: 685-482-6 PubChem CID: 56599306 Formula: C25H25ClN6O4S Molecular Weight: 541.02Solid ≥98%● In Stock — US Item #: X127130View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-amino-N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-methylpropanamide
- SMILES
- CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N
- InChIKey
- QINPEPAQOBZPOF-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- AKOS026750450 | Pilaralisib (XL147) | Pilaralisib [USAN:INN] | NSC791227 | NSC-791227 | Pilaralisib | SCHEMBL16154579...
- PalmatineCAS: 3486-67-7 Formula: C21H22NO4+ Molecular Weight: 352.4● In Stock — US Item #: P111384View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium
- SMILES
- COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)OC)OC
- InChIKey
- QUCQEUCGKKTEBI-UHFFFAOYSA-N
- InChI
- 1S/C21H22NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,9-12H,7-8H2,1-4H3/q+1
- Synonyms
- KBio2_007496 | PALMITINE | 7,8,13,13a-Tetrahydro-2,3,9,10-tetramethoxyberbinium | KBio1_001659 | KBio3_001854 | Palma...
- Abacavir sulfate, Human immunodeficiency virus type 1 reverse transcriptase inhibitorCAS: 188062-50-2 EC Number: 620-488-4 PubChem CID: 441384 Formula: C14H18N6O·1/2 H2O4S Molecular Weight: 335.35Solid ≥99%● In Stock — US Item #: A129792View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol;sulfuric acid
- SMILES
- C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)C4CC(C=C4)CO.C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)C4CC(C=C4)CO.OS(=O)(=O)O
- InChIKey
- WMHSRBZIJNQHKT-FFKFEZPRSA-N
- InChI
- show more
- Synonyms
- Abacavir sulfate | Abacavir sulfate (JAN/USP) | B6091 | Abacavir sulfate racemic [USP-RS] | NSC-760063 | ABACAVIR SUL...
- Mebhydrolin napadisylate● In Stock — US Item #: M118323View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-benzyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;naphthalene-1,5-disulfonic acid
- SMILES
- CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=CC=C4.CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=CC=C4.C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)S(=O)(=O)O
- InChIKey
- CJUOSBUQOWKEKJ-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- Diazolin | CAS-6153-33-9 | 5-BENZYL-1,3,4,5-TETRAHYDRO-2-METHYL-2H-PYRIDO(4,3-B)INDOLE, 1,5-NAPHTHALENEDISULFONATE SA...
- 6,7-Dihydro-4H-thieno[3,2-c]pyran-2-carboxylic acid● In Stock — US Item #: D304996View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxylic acid
- SMILES
- C1COCC2=C1SC(=C2)C(=O)O
- InChIKey
- JTAGXSCOVOJESP-UHFFFAOYSA-N
- InChI
- 1S/C8H8O3S/c9-8(10)7-3-5-4-11-2-1-6(5)12-7/h3H,1-2,4H2,(H,9,10)
- Synonyms
- 6,7-Dihydro-4H-thieno-[3,2-c]pyran-2-carboxylic acid | 6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxylic acid | AM807298...
- L-Phenylglycine t-butyl esterSolid ≥98%◐ .Made to order · 8–12 wks Item #: L354757View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- tert-butyl (2S)-2-amino-2-phenylacetate
- SMILES
- CC(C)(C)OC(=O)C(C1=CC=CC=C1)N
- InChIKey
- HJLYKRGXTOVWFL-JTQLQIEISA-N
- InChI
- 1S/C12H17NO2/c1-12(2,3)15-11(14)10(13)9-7-5-4-6-8-9/h4-8,10H,13H2,1-3H3/t10-/m0/s1
- Synonyms
- A870611 | DS-17135 | SCHEMBL824954 | L-Phenylglycine t-butyl ester | AKOS016842758 | tert-butyl (2S)-2-amino-2-phenyl...
- Methantheline bromide, Histamine H2 receptor antagonistSolid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥97%● In Stock — US Item #: M338417View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- diethyl-methyl-[2-(9H-xanthene-9-carbonyloxy)ethyl]azanium;bromide
- SMILES
- CC[N+](C)(CC)CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13.[Br-]
- InChIKey
- PQMWYJDJHJQZDE-UHFFFAOYSA-M
- InChI
- 1S/C21H26NO3.BrH/c1-4-22(3,5-2)14-15-24-21(23)20-16-10-6-8-12-18(16)25-19-13-9-7-11-17(19)20;/h6-13,20H,4-5,14-15H2,1-3H3;1H/q+1;/p-1
- Synonyms
- METHANTHELINIUM BROMIDE (MART.) | MTB 51 | Tox21_110320 | Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, xanthene...
- Methyl 8-hydroxy-1-naphthoateCAS: 5247-86-9 Formula: C12H10O3 Molecular Weight: 202.21◐ .Made to order · 8–12 wks Item #: M380240View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- methyl 8-hydroxynaphthalene-1-carboxylate
- SMILES
- COC(=O)C1=CC=CC2=C1C(=CC=C2)O
- InChIKey
- DSFFPEOQMHEQIH-UHFFFAOYSA-N
- InChI
- 1S/C12H10O3/c1-15-12(14)9-6-2-4-8-5-3-7-10(13)11(8)9/h2-7,13H,1H3
- Synonyms
- DSFFPEOQMHEQIH-UHFFFAOYSA-N | SCHEMBL3741831 | F15618 | methyl 8-hydroxynaphthalene-1-carboxylate | Methyl 8-hydroxy-...
- L-Phenylalanyl-L-tryptophanCAS: 24587-41-5 Formula: C20H21N3O3 Molecular Weight: 351.4Solid ≥98%● In Stock — US Item #: H303183View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
- SMILES
- C1=CC=C(C=C1)CC(C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)N
- InChIKey
- JMCOUWKXLXDERB-WMZOPIPTSA-N
- InChI
- show more
- Synonyms
- N-L-phenylalanyl-L-tryptophan | Tryptophan-L-phenylalanine, L- | DTXSID00947461 | H-PHE-TRP-OH | L-Tryptophan, L-phen...
- Acetyl-L-glutamic acid alpha-amideCAS: 25460-87-1 Formula: C7H12N2O4 Molecular Weight: 188.18● In Stock — US Item #: A354425View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (4S)-4-acetamido-5-amino-5-oxopentanoic acid
- SMILES
- CC(=O)NC(CCC(=O)O)C(=O)N
- InChIKey
- ZAFUMUJQGCBVPX-YFKPBYRVSA-N
- InChI
- 1S/C7H12N2O4/c1-4(10)9-5(7(8)13)2-3-6(11)12/h5H,2-3H2,1H3,(H2,8,13)(H,9,10)(H,11,12)/t5-/m0/s1
- Synonyms
- EN300-25395564 | n-acetyl-l-isoglutamine | Acetyl-L-glutamic acid alpha-amide | N-alpha-Acetyl-L-isoglutamine | N~2~-...
- Acetyl-O-acetyl-L-threonineCAS: 137197-06-9 Formula: C8H13NO5 Molecular Weight: 203.19● In Stock — US Item #: A354231View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2S,3R)-2-acetamido-3-acetyloxybutanoic acid
- SMILES
- CC(C(C(=O)O)NC(=O)C)OC(=O)C
- InChIKey
- FHYSLJXFHVWFLV-FBCQKBJTSA-N
- InChI
- 1S/C8H13NO5/c1-4(14-6(3)11)7(8(12)13)9-5(2)10/h4,7H,1-3H3,(H,9,10)(H,12,13)/t4-,7+/m1/s1
- Synonyms
- Acetyl-O-acetyl-L-threonine | N,O-diacetyl-l-threonine | DTXSID40427398 | SCHEMBL8847352 | (2S,3R)-2-acetamido-3-acet...
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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.