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
24,639Navigate 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
2,815PROTAC 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
102,615Explore 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
- DesacetylcephapirinCAS: 38115-21-8 Formula: C15H15N3O5S2 Molecular Weight: 381.4◐ Made to order · 8–12 wks Item #: D668101View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (6R,7R)-3-(hydroxymethyl)-8-oxo-7-[(2-pyridin-4-ylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- SMILES
- C1C(=C(N2C(S1)C(C2=O)NC(=O)CSC3=CC=NC=C3)C(=O)O)CO
- InChIKey
- IOFHZPVEQXTSQW-BXUZGUMPSA-N
- InChI
- 1S/C15H15N3O5S2/c19-5-8-6-25-14-11(13(21)18(14)12(8)15(22)23)17-10(20)7-24-9-1-3-16-4-2-9/h1-4,11,14,19H,5-7H2,(H,17,20)(H,22,23)/t11-,14-/m1/s1
- Synonyms
- Desacetylcephapirin|Desacetyl cephapirin|(6R,7R)-3-(Hydroxymethyl)-8-oxo-7-(2-(pyridin-4-ylthio)acetamido)-5-thia-1-a...
- Cyprodime◐ Made to order · 8–12 wks Item #: C668951View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (1R,9R,10S)-17-(cyclopropylmethyl)-3,10-dimethoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one
- SMILES
- COC1=CC=CC2=C1C34CCN(C(C2)C3(CCC(=O)C4)OC)CC5CC5
- InChIKey
- INUCRGMCKDQKNA-CEMLEFRQSA-N
- InChI
- 1S/C22H29NO3/c1-25-18-5-3-4-16-12-19-22(26-2)9-8-17(24)13-21(22,20(16)18)10-11-23(19)14-15-6-7-15/h3-5,15,19H,6-14H2,1-2H3/t19-,21-,22-/m1/s1
- Synonyms
- Cyprodime|(1R,9R,10S)-17-(cyclopropylmethyl)-3,10-dimethoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trie...
- DehydroevidiamineFormula: C19H16N3O⁺ Molecular Weight: 302.3◐ Made to order · 8–12 wks Item #: D668089View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 21-methyl-3,13-diaza-21-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one
- SMILES
- C[N+]1=C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3
- InChIKey
- VXHNSVKJHXSKKM-UHFFFAOYSA-O
- InChI
- 1S/C19H15N3O/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22/h2-9H,10-11H2,1H3/p+1
- Synonyms
- Dehydroevidiamine|Dehydroevodiamine HCl|Evodiamine, derivative of|14-Methyl-5-oxo-5,7,8,13-tetrahydro-indolo[2'',3'':...
- DPPI 1c hydrochlorideFormula: C14H20N4O2 Molecular Weight: 276.33◐ Made to order · 8–12 wks Item #: D669136View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2R,5S)-1-[2-[[1-(hydroxymethyl)cyclopentyl]amino]acetyl]pyrrolidine-2,5-dicarbonitrile
- SMILES
- C1CCC(C1)(CO)NCC(=O)N2C(CCC2C#N)C#N
- InChIKey
- VZOVKVCGZDERPK-TXEJJXNPSA-N
- InChI
- 1S/C14H20N4O2/c15-7-11-3-4-12(8-16)18(11)13(20)9-17-14(10-19)5-1-2-6-14/h11-12,17,19H,1-6,9-10H2/t11-,12+
- Synonyms
- DPPI 1c hydrochloride|(2R,5S)-1-(2-(1-(hydroxymethyl)cyclopentylamino)acetyl)pyrrolidine-2,5-dicarbonitrile|Rel-(2R,5...
- Dechlorohaloperidol◐ Made to order · 8–12 wks Item #: D667859View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-(4-fluorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butan-1-one
- SMILES
- C1CN(CCC1(C2=CC=CC=C2)O)CCCC(=O)C3=CC=C(C=C3)F
- InChIKey
- FEFFZKPQSVTBAY-UHFFFAOYSA-N
- InChI
- 1S/C21H24FNO2/c22-19-10-8-17(9-11-19)20(24)7-4-14-23-15-12-21(25,13-16-23)18-5-2-1-3-6-18/h1-3,5-6,8-11,25H,4,7,12-16H2
- Synonyms
- Dechlorohaloperidol|Dechloro Haloperidol|1-(4-fluorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butan-1-one|Dechloro ...
- DUP-734 free baseCAS: 135135-80-7 Formula: C17H22FNO Molecular Weight: 275.36◐ Made to order · 8–12 wks Item #: D668034View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[1-(cyclopropylmethyl)piperidin-4-yl]-1-(4-fluorophenyl)ethanone
- SMILES
- C1CC1CN2CCC(CC2)CC(=O)C3=CC=C(C=C3)F
- InChIKey
- KWRMWQDKOGFMKP-UHFFFAOYSA-N
- InChI
- 1S/C17H22FNO/c18-16-5-3-15(4-6-16)17(20)11-13-7-9-19(10-8-13)12-14-1-2-14/h3-6,13-14H,1-2,7-12H2
- Synonyms
- DUP-734 free base|1-(Cyclopropylmethyl)-4-(2'-(4'-fluorophenyl)-2'-oxoethyl)piperidine|1-(cyclopropylmethyl)-4-(2'-(4...
- Dazmegrel◐ Made to order · 8–12 wks Item #: D667912View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-[3-(imidazol-1-ylmethyl)-2-methylindol-1-yl]propanoic acid
- SMILES
- CC1=C(C2=CC=CC=C2N1CCC(=O)O)CN3C=CN=C3
- InChIKey
- DEQLGSOHGTZKFB-UHFFFAOYSA-N
- InChI
- 1S/C16H17N3O2/c1-12-14(10-18-9-7-17-11-18)13-4-2-3-5-15(13)19(12)8-6-16(20)21/h2-5,7,9,11H,6,8,10H2,1H3,(H,20,21)
- Synonyms
- DAZMEGREL|UK-38485|UK-38,485|3-(Imidazol-1-ylmethyl)-2-methylindole-1-propionic acid|1H-Indole-1-propanoic acid, 3-(1...
- DatelliptiumCAS: 81531-57-9 Formula: C23H28N3O⁺ Molecular Weight: 362.5◐ Made to order · 8–12 wks Item #: D667960View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[2-(diethylamino)ethyl]-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol
- SMILES
- CCN(CC)CC[N+]1=CC2=C(C3=C(C(=C2C=C1)C)NC4=C3C=C(C=C4)O)C
- InChIKey
- NGOHTJBYABHJKF-UHFFFAOYSA-O
- InChI
- 1S/C23H27N3O/c1-5-25(6-2)11-12-26-10-9-18-16(4)23-22(15(3)20(18)14-26)19-13-17(27)7-8-21(19)24-23/h7-10,13-14,27H,5-6,11-12H2,1-4H3/p+1
- Synonyms
- Detalliptinium|DATELLIPTIUM|Datelliptium ion|Datelliptium cation|SR 95156B|Diethylaminoethyl-2-oh-9-ellipticinium|2-D...
- Demethoxyviridin◐ Made to order · 8–12 wks Item #: D668041View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (1R,18R)-18-hydroxy-1-methyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),3,5(9),12(19),14-pentaene-6,11,16-trione
- SMILES
- CC12C(CC(=O)C3=COC(=C31)C(=O)C4=C2C=CC5=C4CCC5=O)O
- InChIKey
- SWJBYJJNDIXFSA-KUHUBIRLSA-N
- InChI
- 1S/C19H14O5/c1-19-11-4-2-8-9(3-5-12(8)20)15(11)17(23)18-16(19)10(7-24-18)13(21)6-14(19)22/h2,4,7,14,22H,3,5-6H2,1H3/t14-,19+/m1/s1
- Synonyms
- Demethoxyviridin|(1r,11br)-1-hydroxy-11b-methyl-1,7,8,11b-tetrahydrocyclopenta[7,8]phenanthro[10,1-bc]furan-3,6,9(2h)...
- Dihydrocubebin◐ Made to order · 8–12 wks Item #: D668131View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2R,3R)-2,3-bis(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol
- SMILES
- C1OC2=C(O1)C=C(C=C2)CC(CO)C(CC3=CC4=C(C=C3)OCO4)CO
- InChIKey
- JKCVMTYNARDGET-HOTGVXAUSA-N
- InChI
- 1S/C20H22O6/c21-9-15(5-13-1-3-17-19(7-13)25-11-23-17)16(10-22)6-14-2-4-18-20(8-14)26-12-24-18/h1-4,7-8,15-16,21-22H,5-6,9-12H2/t15-,16-/m0/s1
- Synonyms
- Dihydrocubebin|(-)-Dihydrocubebin|(2R,3R)-2,3-bis(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol|1,4-Butanediol, 2,3-bis(...
- Diethyl {[(3-methyl-2-pyridinyl)amino]methylene}malonateFormula: C14H18N2O4 Molecular Weight: 278.3◐ Made to order · 8–12 wks Item #: D668685View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- diethyl 2-[[(3-methylpyridin-2-yl)amino]methylidene]propanedioate
- SMILES
- CCOC(=O)C(=CNC1=C(C=CC=N1)C)C(=O)OCC
- InChIKey
- MJNGQOQDYCQJQJ-UHFFFAOYSA-N
- InChI
- 1S/C14H18N2O4/c1-4-19-13(17)11(14(18)20-5-2)9-16-12-10(3)7-6-8-15-12/h6-9H,4-5H2,1-3H3,(H,15,16)
- Synonyms
- diethyl {[(3-methyl-2-pyridinyl)amino]methylene}malonate|BIM-0044878.P001|1,1-bis(ethoxycarbonyl)-2-(3-methylpyrid-2-...
- Dibromsalicil◐ Made to order · 8–12 wks Item #: D667841View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1,2-bis(5-bromo-2-hydroxyphenyl)ethane-1,2-dione
- SMILES
- C1=CC(=C(C=C1Br)C(=O)C(=O)C2=C(C=CC(=C2)Br)O)O
- InChIKey
- AAOYLOCWJSLLJU-UHFFFAOYSA-N
- InChI
- 1S/C14H8Br2O4/c15-7-1-3-11(17)9(5-7)13(19)14(20)10-6-8(16)2-4-12(10)18/h1-6,17-18H
- Synonyms
- Dibromsalicil|Dibromosalicil|5,5'-Dibromosalicil|Dibromosalicyl|Degermon|Dibrosal|Dibrosil|Respectol|1,2-bis(5-bromo-...
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