By Target / Pathway / Disease

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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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

Navigate 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

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PROTAC 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.

Explore 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.

Find 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.

Shop 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.

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  1. 6-Chloro-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine
    CAS: 23596-25-0 EC Number: 194-754-9 Formula: C7H7ClN2 Molecular Weight: 154.60
    Solid ≥97%
    ● In Stock — US warehouse, ships to EU* Item #: C303151
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    Technical Identifiers
    IUPAC Name
    6-chloro-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine
    SMILES
    C1CNC2=CC(=NC=C21)Cl
    InChIKey
    WSJKRCBUBLIDBF-UHFFFAOYSA-N
    InChI
    1S/C7H7ClN2/c8-7-3-6-5(4-10-7)1-2-9-6/h3-4,9H,1-2H2
    Synonyms
    MFCD00980787 | 6-CHLORO-1H,2H,3H-PYRROLO[3,2-C]PYRIDINE
  2. 6-Chloro-3-indolyl α-D-galactopyranoside
    CAS: 198402-61-8 PubChem CID: 10286594 Formula: C14H16ClNO6 Molecular Weight: 329.73
    ● In Stock — US warehouse, ships to EU* Item #: C342903
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    IUPAC Name
    (2R,3R,4S,5R,6R)-2-[(6-chloro-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
    SMILES
    C1=CC2=C(C=C1Cl)NC=C2OC3C(C(C(C(O3)CO)O)O)O
    InChIKey
    OQWBAXBVBGNSPW-HTOAHKCRSA-N
    InChI
    1S/C14H16ClNO6/c15-6-1-2-7-8(3-6)16-4-9(7)21-14-13(20)12(19)11(18)10(5-17)22-14/h1-4,10-14,16-20H,5H2/t10-,11+,12+,13-,14+/m1/s1
    Synonyms
    A-D-GALACTOPYRANOSIDE,6-CHLORO-1H-INDOL-3-YL | MFCD02683908 | (2R,3R,4S,5R,6R)-2-[(6-CHLORO-1H-INDOL-3-YL)OXY]-6-(HYD...
  3. Benzamidine hydrochloride hydrate
    CAS: 206752-36-5 EC Number: 606-598-5 Formula: C7H8N2.HCl.xH2O Molecular Weight: 156.62(anhy)
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: B100938
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    IUPAC Name
    benzenecarboximidamide;hydrate;hydrochloride
    SMILES
    Cl[H].[H]O[H].NC(=N)c1ccccc1
    InChIKey
    BQVJCMMLDJPBFZ-UHFFFAOYSA-N
    InChI
    1S/C7H8N2.ClH.H2O/c8-7(9)6-4-2-1-3-5-6;;/h1-5H,(H3,8,9);1H;1H2
    Synonyms
    AKOS015889025 | Benzimidamidehydrochloridehydrate | benzenecarboxamidine hcl hydrate | Benzamidinium chloride | benzi...
  4. 6-Ethyl-4-hydroxyquinoline-3-carboxylic acid ethyl ester
    CAS: 85418-73-1 Formula: C14H15NO3 Molecular Weight: 245.27
    ◐ .Made to order · 8–12 wks Item #: E349256
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    IUPAC Name
    ethyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate
    SMILES
    CCC1=CC2=C(C=C1)NC=C(C2=O)C(=O)OCC
    InChIKey
    ZFOFJXFVCJQXBL-UHFFFAOYSA-N
    InChI
    1S/C14H15NO3/c1-3-9-5-6-12-10(7-9)13(16)11(8-15-12)14(17)18-4-2/h5-8H,3-4H2,1-2H3,(H,15,16)
    Synonyms
    NS-03531 | ZFOFJXFVCJQXBL-UHFFFAOYSA-N | Oprea1_563397 | 6-Ethyl-4-hydroxyquinoline-3-carboxylic acid ethyl ester | F...
  5. Benzamil hydrochloride
    CAS: 161804-20-2 EC Number: 634-062-0 PubChem CID: 5702295 Formula: C13H14ClN7O•HCl Molecular Weight: 356.21
    ● In Stock — US warehouse, ships to EU* Item #: B287915
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    IUPAC Name
    3,5-diamino-N-(N'-benzylcarbamimidoyl)-6-chloropyrazine-2-carboxamide;hydrochloride
    SMILES
    C1=CC=C(C=C1)CN=C(N)NC(=O)C2=C(N=C(C(=N2)Cl)N)N.Cl
    InChIKey
    ZNWMRWWNJBXNKJ-UHFFFAOYSA-N
    InChI
    1S/C13H14ClN7O.ClH/c14-9-11(16)20-10(15)8(19-9)12(22)21-13(17)18-6-7-4-2-1-3-5-7;/h1-5H,6H2,(H4,15,16,20)(H3,17,18,21,22);1H
    Synonyms
    Benzamil (hydrochloride) | Tox21_500211 | MLS002153937 | SR-01000075711 | SR-01000075711-4 | 3,5-diamino-6-chloro-N-[...
  6. Potassium D-erythronate
    CAS: 88759-55-1 PubChem CID: 23698876 Formula: C4H7KO5 Molecular Weight: 174.19
    ● In Stock — US warehouse, ships to EU* Item #: P344339
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    IUPAC Name
    potassium;(2R,3R)-2,3,4-trihydroxybutanoate
    SMILES
    C(C(C(C(=O)[O-])O)O)O.[K+]
    InChIKey
    NIBJBHRBFKKLFG-SWLXLVAMSA-M
    InChI
    1S/C4H8O5.K/c5-1-2(6)3(7)4(8)9;/h2-3,5-7H,1H2,(H,8,9);/q;+1/p-1/t2-,3-;/m1./s1
    Synonyms
    P20477 | Potassium(2R,3R)-2,3,4-trihydroxybutanoate | AKOS006275428 | HY-113048A | potassium;(2R,3R)-2,3,4-trihydroxy...
  7. SDZ-201106 (±), (DPI-201106)
    CAS: 97730-95-5 PubChem CID: 5190 Formula: C29H30N4O2 Molecular Weight: 466.6
    ◐ .Made to order · 8–12 wks Item #: S340001
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    IUPAC Name
    4-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropoxy]-1H-indole-2-carbonitrile
    SMILES
    C1CN(CCN1CC(COC2=CC=CC3=C2C=C(N3)C#N)O)C(C4=CC=CC=C4)C5=CC=CC=C5
    InChIKey
    BYBYHCOEAFHGJL-UHFFFAOYSA-N
    InChI
    1S/C29H30N4O2/c30-19-24-18-26-27(31-24)12-7-13-28(26)35-21-25(34)20-32-14-16-33(17-15-32)29(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-13,18,25,29,31,34H,14show more
    Synonyms
    Bio1_000661 | Bio2_000675 | KBio3_000389 | HY-19666 | KBioSS_000195 | BDBM50001689 | DPI 201-106;SDZ 201106 | KBio3_0...
  8. SID 26681509
    CAS: 958772-66-2 PubChem CID: 16725315 Formula: C27H33N5O5S Molecular Weight: 539.65
    ● In Stock — US warehouse, ships to EU* Item #: S275500
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    IUPAC Name
    tert-butyl N-[(2S)-1-[2-[2-(2-ethylanilino)-2-oxoethyl]sulfanylcarbonylhydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
    SMILES
    CCC1=CC=CC=C1NC(=O)CSC(=O)NNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)OC(C)(C)C
    InChIKey
    OTIWAYTTYNFEKL-QFIPXVFZSA-N
    InChI
    1S/C27H33N5O5S/c1-5-17-10-6-8-12-20(17)29-23(33)16-38-26(36)32-31-24(34)22(30-25(35)37-27(2,3)4)14-18-15-28-21-13-9-7-11-19(18)21/h6-13,15,22,28H,5,14show more
    Synonyms
    N-[(1,1-dimethylethoxy)carbonyl]-2-[[[2-[(2-ethylphenyl)amino]-2-oxoethyl]thio]carbonyl]hydrazide,L-tryptophan
  9. 6-Fluoro-1H-indazole-3-carboxylic acid
    CAS: 129295-30-3 EC Number: 802-103-3 Formula: C8H5FN2O2 Molecular Weight: 180.14
    ● In Stock — US warehouse, ships to EU* Item #: F349218
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    IUPAC Name
    6-fluoro-1H-indazole-3-carboxylic acid
    SMILES
    C1=CC2=C(C=C1F)NN=C2C(=O)O
    InChIKey
    KNPFUABTEGLQBG-UHFFFAOYSA-N
    InChI
    1S/C8H5FN2O2/c9-4-1-2-5-6(3-4)10-11-7(5)8(12)13/h1-3H,(H,10,11)(H,12,13)
    Synonyms
    W-205309 | AB16519 | FT-0761880 | SY290231 | AC-12211 | 6-Fluoro-1H-indazole-3-carboxylicacid | 6-FLUORO-3-(1H)INDAZO...
  10. TC-SP 14
    CAS: 1257093-40-5 PubChem CID: 51346934 Formula: C25H20F2N2O2S Molecular Weight: 450.5
    ◐ .Made to order · 8–12 wks Item #: T288180
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    IUPAC Name
    1-[[3-fluoro-4-[5-[(2-fluorophenyl)methyl]-1,3-benzothiazol-2-yl]phenyl]methyl]azetidine-3-carboxylic acid
    SMILES
    C1C(CN1CC2=CC(=C(C=C2)C3=NC4=C(S3)C=CC(=C4)CC5=CC=CC=C5F)F)C(=O)O
    InChIKey
    GVXGVDIXINMAAL-UHFFFAOYSA-N
    InChI
    1S/C25H20F2N2O2S/c26-20-4-2-1-3-17(20)9-15-6-8-23-22(11-15)28-24(32-23)19-7-5-16(10-21(19)27)12-29-13-18(14-29)25(30)31/h1-8,10-11,18H,9,12-14H2,(H,30show more
    Synonyms
    1-[[3-Fluoro-4-[5-[(2-fluorophenyl)methyl]-2-benzothiazolyl]phenyl]methyl]-3-azetidinecarboxylic acid
  11. SCH-1473759
    CAS: 1094069-99-4 PubChem CID: 25144732 Formula: C20H26N8OS Molecular Weight: 426.54
    ◐ .Made to order · 8–12 wks Item #: S127253
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    IUPAC Name
    2-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]-2-methylpropan-1-ol
    SMILES
    CCN(CC1=NSC(=C1)NC2=NC(=CN3C2=NC=C3C4=CNN=C4)C)C(C)(C)CO
    InChIKey
    RHGZQGXELRMGES-UHFFFAOYSA-N
    InChI
    1S/C20H26N8OS/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,2show more
    Synonyms
    BDBM50329198 | 2-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]a...
  12. SF1126, Serine/threonine-protein kinase mTOR inhibitor
    CAS: 936487-67-1 Formula: C39H48N8O14 Molecular Weight: 852.84
    ◐ .Made to order · 8–12 wks Item #: S339028
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    Technical Identifiers
    IUPAC Name
    (2S)-2-[[(2S)-3-carboxy-2-[[2-[[(2S)-5-(diaminomethylideneamino)-2-[[4-oxo-4-[[4-(4-oxo-8-phenylchromen-2-yl)morpholin-4-ium-4-yl]methoxy]butanoyl]amishow more
    SMILES
    C1COCC[N+]1(COC(=O)CCC(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)[O-])C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC=C4
    InChIKey
    SVNJBEMPMKWDCO-KCHLEUMXSA-N
    InChI
    1S/C39H48N8O14/c40-39(41)42-13-5-10-26(36(55)43-20-31(51)45-27(18-33(52)53)37(56)46-28(21-48)38(57)58)44-30(50)11-12-34(54)60-22-47(14-16-59-17-15-47)show more
    Synonyms
    SF1126 | EX-A5997 | SF-1126 INNER SALT | SF 1126 | Q27276459 | SCHEMBL15668089 | 936487-67-1 | BDBM50507755 | CHEMBL2...
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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.

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