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
24,638Navigate 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 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 to assemble or screen PROTAC designs, with clear identifiers for efficient selection.
By Signaling Pathways
102,614Explore 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
- PRT 060318CAS: 1194961-19-7 EC Number: 111-797-0 PubChem CID: 11493841 Formula: C18H24N6O Molecular Weight: 340.42● In Stock — US Item #: P413822View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(3-methylanilino)pyrimidine-5-carboxamide
- SMILES
- CC1=CC(=CC=C1)NC2=NC(=NC=C2C(=O)N)NC3CCCCC3N
- InChIKey
- NZNTWOVDIXCHHS-LSDHHAIUSA-N
- InChI
- show more
- Synonyms
- 2-[[(1R,2S)-2-Aminocyclohexyl]amino]-4-[(3-methylphenyl)amino]-5-pyrimidinecarboxamide | P 142-76 | PRT 318
- PRT062607 (P505-15) HCl10mM in DMSO● In Stock — US Item #: P408611View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- BIIB057, PRT-2607 | 5-Pyrimidinecarboxamide, 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[[3-(2H-1,2,3-triazol-2-yl)phenyl...
- PRX-08066 Maleic acid10mM in DMSO● In Stock — US Item #: P408005View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- Benzonitrile, 5-[[4-[(6-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-1-piperidinyl]methyl]-2-fluoro-, (2Z)-2-butenedioate...
- PS 4810mM in DMSO● In Stock — US Item #: P420799View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (Z)-5-(4-chlorophenyl)-3-phenylpent-2-enoic acid
- SMILES
- C1=CC=C(C=C1)C(=CC(=O)O)CCC2=CC=C(C=C2)Cl
- InChIKey
- LLJYFDRQFPQGNY-QINSGFPZSA-N
- InChI
- 1S/C17H15ClO2/c18-16-10-7-13(8-11-16)6-9-15(12-17(19)20)14-4-2-1-3-5-14/h1-5,7-8,10-12H,6,9H2,(H,19,20)/b15-12-
- Synonyms
- (Z)-5-(4-chlorophenyl)-3-phenylpent-2-enoic acid
- PS210● In Stock — US Item #: P412959View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[3-oxo-1-phenyl-3-[4-(trifluoromethyl)phenyl]propyl]propanedioic acid
- SMILES
- C1=CC=C(C=C1)C(CC(=O)C2=CC=C(C=C2)C(F)(F)F)C(C(=O)O)C(=O)O
- InChIKey
- MLJPLHGJBUWCBA-UHFFFAOYSA-N
- InChI
- 1S/C19H15F3O5/c20-19(21,22)13-8-6-12(7-9-13)15(23)10-14(11-4-2-1-3-5-11)16(17(24)25)18(26)27/h1-9,14,16H,10H2,(H,24,25)(H,26,27)
- Synonyms
- 2-[3-Oxo-1-phenyl-3-[4-(trifluoromethyl)phenyl]propyl]-propanedioic acid
- PTP Inhibitor V, PHPS110mM in DMSO● In Stock — US Item #: P423261View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[[5-(4-nitrophenyl)-3-oxo-2-phenyl-1H-pyrazol-4-yl]diazenyl]benzenesulfonic acid
- SMILES
- C1=CC=C(C=C1)N2C(=O)C(=C(N2)C3=CC=C(C=C3)[N+](=O)[O-])N=NC4=CC=C(C=C4)S(=O)(=O)O
- InChIKey
- IYPHPQODKSHEHV-UHFFFAOYSA-N
- InChI
- 1S/C21H15N5O6S/c27-21-20(23-22-15-8-12-18(13-9-15)33(30,31)32)19(14-6-10-17(11-7-14)26(28)29)24-25(21)16-4-2-1-3-5-16/h1-13,24H,(H,30,31,32)
- Synonyms
- (E)-4-(2-(3-(4-nitrophenyl)-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)hydrazinyl)benzenesulfonic acid | PTPNN1 Inhibito...
- PTP1B-IN-210mM in DMSO● In Stock — US Item #: P422349View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- methyl 5-[benzylsulfonyl-[[4-[(2-methoxy-2-oxoethyl)-methylsulfonylamino]phenyl]methyl]amino]-2-[(4-methylphenyl)methoxy]benzoate
- SMILES
- CC1=CC=C(C=C1)COC2=C(C=C(C=C2)N(CC3=CC=C(C=C3)N(CC(=O)OC)S(=O)(=O)C)S(=O)(=O)CC4=CC=CC=C4)C(=O)OC
- InChIKey
- IPNJQCVHNPGYOX-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- MDK3465 | Ptp1B-In-2 | Compound P6Benzoic acid,5-[[[4-[(2-methoxy-2-oxoethyl)(methylsulfonyl)amino]phenyl]me...
- PTP1B-IN-2● In Stock — US Item #: P412189View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- methyl 5-[benzylsulfonyl-[[4-[(2-methoxy-2-oxoethyl)-methylsulfonylamino]phenyl]methyl]amino]-2-[(4-methylphenyl)methoxy]benzoate
- SMILES
- CC1=CC=C(C=C1)COC2=C(C=C(C=C2)N(CC3=CC=C(C=C3)N(CC(=O)OC)S(=O)(=O)C)S(=O)(=O)CC4=CC=CC=C4)C(=O)OC
- InChIKey
- IPNJQCVHNPGYOX-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- MDK3465 | Ptp1B-In-2 | Compound P6Benzoic acid,5-[[[4-[(2-methoxy-2-oxoethyl)(methylsulfonyl)amino]phenyl]me...
- PTP1B-IN-9● In Stock — US Item #: P412528View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (3E,5E)-3,5-bis[(3,4-dichlorophenyl)methylidene]piperidin-4-one
- SMILES
- C1C(=CC2=CC(=C(C=C2)Cl)Cl)C(=O)C(=CC3=CC(=C(C=C3)Cl)Cl)CN1
- InChIKey
- GJPXGFGIFQWUOC-ACFHMISVSA-N
- InChI
- 1S/C19H13Cl4NO/c20-15-3-1-11(7-17(15)22)5-13-9-24-10-14(19(13)25)6-12-2-4-16(21)18(23)8-12/h1-8,24H,9-10H2/b13-5+,14-6+
- Synonyms
- RAMB4
- PU-H71CAS: 873436-91-0 Formula: C18H21IN6O2S Molecular Weight: 512.3710mM in DMSO◐ .Made to order · 8–12 wks Item #: P426603View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-9-[3-(propan-2-ylamino)propyl]purin-6-amine
- SMILES
- CC(C)NCCCN1C2=NC=NC(=C2N=C1SC3=C(C=C4C(=C3)OCO4)I)N
- InChIKey
- SUPVGFZUWFMATN-UHFFFAOYSA-N
- InChI
- 1S/C18H21IN6O2S/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23)
- Synonyms
- DivK1c_006639 | Oprea1_485666 | STR09510 | UNII-06IVK87M04 | PU-H71, d6 | HMS3653N04 | J-690375 | SB17115 | 06IVK87M0...
- Palbociclib isethionate10mM in Water● In Stock — US Item #: P426140View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7-one;2-hydroxyethanesulfonic acid
- SMILES
- CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C.C(CS(=O)(=O)O)O
- InChIKey
- LYYVFHRFIJKPOV-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- tert-butoxycarbonyl homopiperazine | 6-acetyl-8-cyclopentyl-5-methyl-2-((5-(piperazin-1-yl)pyridin-2-yl)amino)pyrido[...
- Palifosfamide, DNA cross-linking agentCAS: 31645-39-3 Formula: C4H11Cl2N2O2P Molecular Weight: 221.0210mM in DMSO● In Stock — US Item #: P423292View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- bis(2-chloroethylamino)phosphinic acid
- SMILES
- C(CCl)NP(=O)(NCCCl)O
- InChIKey
- BKCJZNIZRWYHBN-UHFFFAOYSA-N
- InChI
- 1S/C4H11Cl2N2O2P/c5-1-3-7-11(9,10)8-4-2-6/h1-4H2,(H3,7,8,9,10)
- Synonyms
- DB05668 | IPAM | 6A4U6NN813 | Isophosphoramide mustard | Isophosphamide mustard | N,N'-Di-(2-chloroethyl)phosphorodia...
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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.