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).
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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.
Popular Products
- LTURM 34CAS: 1879887-96-3 Formula: C24H18N2O3S Molecular Weight: 414.48● In Stock — US Item #: L287325View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 8-dibenzothiophen-4-yl-2-morpholin-4-yl-1,3-benzoxazin-4-one
- SMILES
- C1COCCN1C2=NC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56
- InChIKey
- SMMSWOMXOZLOPI-UHFFFAOYSA-N
- InChI
- 1S/C24H18N2O3S/c27-23-19-9-3-6-16(21(19)29-24(25-23)26-11-13-28-14-12-26)18-8-4-7-17-15-5-1-2-10-20(15)30-22(17)18/h1-10H,11-14H2
- Synonyms
- 8-(4-Dibenzothienyll)-2-(4-morpholinyl)-4H-1,3-benzoxazin-4-one
- 5-Ethyl-2-hydroxybenzaldehyde● In Stock — US Item #: E344459View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-ethyl-2-hydroxybenzaldehyde
- SMILES
- CCC1=CC(=C(C=C1)O)C=O
- InChIKey
- XSTCLZHMZASDDK-UHFFFAOYSA-N
- InChI
- 1S/C9H10O2/c1-2-7-3-4-9(11)8(5-7)6-10/h3-6,11H,2H2,1H3
- Synonyms
- 5-ethyl-2-hydroxybenzaldehyde | 5-Ethyl-2-hydroxy-benzaldehyde | 5-ethyl-2-hydroxybenzenecarbaldehyde, AldrichCPR | F...
- BAY 41-8543CAS: 256498-66-5 Formula: C21H21FN8O Molecular Weight: 420.44◐ .Made to order · 8–12 wks Item #: B288616View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-morpholin-4-ylpyrimidine-4,6-diamine
- SMILES
- C1COCCN1C2=C(N=C(N=C2N)C3=NN(C4=C3C=CC=N4)CC5=CC=CC=C5F)N
- InChIKey
- AQYFUZRYBJBAGZ-UHFFFAOYSA-N
- InChI
- 1S/C21H21FN8O/c22-15-6-2-1-4-13(15)12-30-21-14(5-3-7-25-21)16(28-30)20-26-18(23)17(19(24)27-20)29-8-10-31-11-9-29/h1-7H,8-12H2,(H4,23,24,26,27)
- Synonyms
- AS-35182 | Q27256130 | 2-(1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)-5-morpholinopyrimidine-4,6-diamine | b]p...
- Betaxolol hydrochloride, Beta-1 adrenergic receptor antagonistSolid ≥98%● In Stock — US Item #: B276453View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride
- SMILES
- CC(C)NCC(COC1=CC=C(C=C1)CCOCC2CC2)O.Cl
- InChIKey
- CHDPSNLJFOQTRK-UHFFFAOYSA-N
- InChI
- 1S/C18H29NO3.ClH/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16;/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3;1H
- Synonyms
- B4474 | Q-200714 | SL 75212 HCl | Betoptic | Betoptic (TN) | 2-PROPANOL, 1-(4-(2-(CYCLOPROPYLMETHOXY)ETHYL)PHENOXY)-3...
- B 973BCAS: 2244989-34-0 Formula: C24H26F2N6O Molecular Weight: 452.5◐ .Made to order · 8–12 wks Item #: B288003View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-(3,4-difluorophenyl)-N-[(1S)-1-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrazin-2-yl]ethyl]propanamide
- SMILES
- CC(C1=CN=CC(=N1)N2CCN(CC2)C3=CC=CC=N3)NC(=O)CCC4=CC(=C(C=C4)F)F
- InChIKey
- WQYZERNSONBUCW-KRWDZBQOSA-N
- InChI
- show more
- Synonyms
- (-)-(S)-B 973B | 3,4-Difluoro-N-[(1S)-1-[6-[4-(2-pyridinyl)-1-piperazinyl]-2-pyrazinyl]ethyl]benzenepropanamide
- B-HT 933 dihydrochloride◐ .Made to order · 8–12 wks Item #: B288164View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine;dihydrochloride
- SMILES
- CCN1CCC2=C(CC1)OC(=N2)N.Cl.Cl
- InChIKey
- HBLPYIOKPJVFQW-UHFFFAOYSA-N
- InChI
- 1S/C9H15N3O.2ClH/c1-2-12-5-3-7-8(4-6-12)13-9(10)11-7;;/h2-6H2,1H3,(H2,10,11);2*1H
- Synonyms
- MELITRACEN HYDROCHLORIDE [MI] | 6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine;hydrochloride | 6-Ethyl-...
- B02Solid ≥98%● In Stock — US Item #: B276133View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-benzyl-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one
- SMILES
- C1=CC=C(C=C1)CN2C(=NC3=CC=CC=C3C2=O)C=CC4=CN=CC=C4
- InChIKey
- GEKDQXSPTHHANP-OUKQBFOZSA-N
- InChI
- 1S/C22H17N3O/c26-22-19-10-4-5-11-20(19)24-21(13-12-17-9-6-14-23-15-17)25(22)16-18-7-2-1-3-8-18/h1-15H,16H2/b13-12+
- Synonyms
- cid_5738263 | RAD51 inhibitor B02 | B02; B-02; B 02; RAD51-IN-02 | SR-01000722866 | s8434 | BDBM48804 | RAD51 Inhibit...
- Bestatin methyl esterCAS: 65322-89-6 Formula: C17H26N2O4 Molecular Weight: 322.4◐ .Made to order · 8–12 wks Item #: B275720View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- methyl (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoate
- SMILES
- CC(C)CC(C(=O)OC)NC(=O)C(C(CC1=CC=CC=C1)N)O
- InChIKey
- WGNKTWBIPBOGLO-ILXRZTDVSA-N
- InChI
- 1S/C17H26N2O4/c1-11(2)9-14(17(22)23-3)19-16(21)15(20)13(18)10-12-7-5-4-6-8-12/h4-8,11,13-15,20H,9-10,18H2,1-3H3,(H,19,21)/t13-,14+,15+/m1/s1
- Synonyms
- Bestatin Methyl Ester | BDBM50251279 | (S)-methyl 2-((2S,3R)-3-amino-2-hydroxy-4-phenylbutanamido)-4-methylpentanoate...
- V-9302● In Stock — US Item #: V305261View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2S)-2-amino-4-[bis[[2-[(3-methylphenyl)methoxy]phenyl]methyl]amino]butanoic acid
- SMILES
- CC1=CC(=CC=C1)COC2=CC=CC=C2CN(CCC(C(=O)O)N)CC3=CC=CC=C3OCC4=CC=CC(=C4)C
- InChIKey
- YGKNVAAMULVFNN-HKBQPEDESA-N
- InChI
- show more
- Synonyms
- (2S)-2-Amino-4-[bis[[2-[(3-methylphenyl)methoxy]phenyl]methyl]amino]-butanoic acid
- 5-Chloro-1H-indazole-3-carboxylic acid● In Stock — US Item #: C345560View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-chloro-1H-indazole-3-carboxylic acid
- SMILES
- C1=CC2=C(C=C1Cl)C(=NN2)C(=O)O
- InChIKey
- WHAJIAULUPQHHZ-UHFFFAOYSA-N
- InChI
- 1S/C8H5ClN2O2/c9-4-1-2-6-5(3-4)7(8(12)13)11-10-6/h1-3H,(H,10,11)(H,12,13)
- Synonyms
- AM20020179 | AB11861 | DS-2422 | FS-2452 | AKOS005144134 | BBL020253 | SY020607 | 5-Chloro-2H-indazole-3-carboxylic a...
- B2Solid ≥98%(HPLC)● In Stock — US Item #: B288906View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (4-chlorophenyl)-[4-(8-nitroquinolin-5-yl)piperazin-1-yl]methanone
- SMILES
- C1CN(CCN1C2=C3C=CC=NC3=C(C=C2)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)Cl
- InChIKey
- KLNPVNZJCWIQSK-UHFFFAOYSA-N
- InChI
- 1S/C20H17ClN4O3/c21-15-5-3-14(4-6-15)20(26)24-12-10-23(11-13-24)17-7-8-18(25(27)28)19-16(17)2-1-9-22-19/h1-9H,10-13H2
- Synonyms
- NCGC00186018-01 | E77878 | Tox21_500619 | CPNQ, >=98% (HPLC), solid | CPNQ | BS-52744 | AKOS000424462 | SDCCGSBI-0046...
- BAM 15Solid ≥98%(HPLC)● In Stock — US Item #: B287299View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-N,6-N-bis(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
- SMILES
- C1=CC=C(C(=C1)NC2=NC3=NON=C3N=C2NC4=CC=CC=C4F)F
- InChIKey
- OEGJBRZAJRPPHL-UHFFFAOYSA-N
- InChI
- 1S/C16H10F2N6O/c17-9-5-1-3-7-11(9)19-13-14(20-12-8-4-2-6-10(12)18)22-16-15(21-13)23-25-24-16/h1-8H,(H,19,21,23)(H,20,22,24)
- Synonyms
- BAM 15 | N-[6-(2-Fluoroanilino)[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]-N-(2-fluorophenyl)amine
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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.