Drug Discovery Research Products

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OBAA
CAS: 134531-42-3 Formula: C₂₈H₄₄O₃ Molecular Weight: 428.65

≥98%

◐ .Made to order · 8–12 wks Item #: O335801
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IUPAC Name

4-(4-octadecylphenyl)-4-oxobut-2-enoic acid

SMILES

CCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)C(=O)C=CC(=O)O

InChIKey
ZBESASFHIWDSCJ-UHFFFAOYSA-N

InChI

1S/C28H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-19-21-26(22-20-25)27(29)23-24-28(30)31/h19-24H,2-18H2,1H3,(H,30,31)

Synonyms
Bio1_000952 | HMS3266B09 | Q27164591 | KBio2_005460 | KBio2_000324 | KBioGR_000324 | 4-(4-Octadecylphenyl)-4-oxo-2-bu...
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BQ-123, Antagonist of ET A receptor
CAS: 136553-81-6 Formula: C₃₁H₄₂N₆O₇ Molecular Weight: 610.7

Moligand™ ? ≥98%

● In Stock — US warehouse, ships to EU* Item #: B275090
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IUPAC Name

2-[(3R,6R,9S,12R,15S)-6-(1H-indol-3-ylmethyl)-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]show more

SMILES

CC(C)CC1C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)N1)C(C)C)CC(=O)O)CC3=CNC4=CC=CC=C43

InChIKey
VYCMAAOURFJIHD-PJNXIOHISA-N

InChI

1S/C31H42N6O7/c1-16(2)12-21-27(40)33-22(13-18-15-32-20-9-6-5-8-19(18)20)28(41)35-23(14-25(38)39)31(44)37-11-7-10-24(37)29(42)36-26(17(3)4)30(43)34-21/show more

Synonyms
2-((3R,6S,9R,12R,17aS)-9-((1H-indol-3-yl)methyl)-6-isobutyl-3-isopropyl-1,4,7,10,13-pentaoxohexadecahydro-1H-pyrrolo[...
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Rhodamine 123
CAS: 62669-70-9 EC Number: 263-687-8 Formula: C₂₁H₁₇ClN₂O₃ Molecular Weight: 380.82

≥98%

● In Stock — US warehouse, ships to EU* Item #: R299309
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IUPAC Name

methyl 2-(3-amino-6-iminoxanthen-9-yl)benzoate;hydrochloride

SMILES

COC(=O)C1=CC=CC=C1C2=C3C=CC(=N)C=C3OC4=C2C=CC(=C4)N.Cl

InChIKey
MYFATKRONKHHQL-UHFFFAOYSA-N

InChI

1S/C21H16N2O3.ClH/c1-25-21(24)15-5-3-2-4-14(15)20-16-8-6-12(22)10-18(16)26-19-11-13(23)7-9-17(19)20;/h2-11,22H,23H2,1H3;1H

Synonyms
SCHEMBL3808879 | RH-123; R-22420 | RH-123 | rhodamine 110 methyl ester | Rhodamine 123, BioReagent, for fluorescence,...
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(R)-(-)-Ibuprofen
CAS: 51146-57-7 Formula: C₁₃H₁₈O₂ Molecular Weight: 206.28

≥98%

● In Stock — US warehouse, ships to EU* Item #: L126048
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IUPAC Name

(2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid

SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(=O)O

InChIKey
HEFNNWSXXWATRW-SNVBAGLBSA-N

InChI

1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m1/s1

Synonyms
AC-32024 | (2R)-2-(4-isobutylphenyl)propanoic acid | HY-78131B | (R)-(-)-Ibuprofen | alphaR-Sethyl-4-(2-methylpropyl)...
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1-Vinyl-3-Ethylimidazolium Hexafluorophosphate
CAS: 1034364-43-6 PubChem CID: 122197703 Formula: C₇H₁₁F₆N₂P Molecular Weight: 268.14

Solid ≥97%

● In Stock — US warehouse, ships to EU* Item #: V302115
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IUPAC Name

1-ethenyl-3-ethylimidazol-3-ium;hexafluorophosphate

SMILES

CC[N+]1=CN(C=C1)C=C.F[P-](F)(F)(F)(F)F

InChIKey
OJXFPXRCWMKTHY-UHFFFAOYSA-N

InChI

1S/C7H11N2.F6P/c1-3-8-5-6-9(4-2)7-8;1-7(2,3,4,5)6/h3,5-7H,1,4H2,2H3;/q+1;-1

Synonyms
hexafluorophosphate | 1-Ethenyl-3-ethylimidazol-3-ium
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1-Thio-β-D-glucose sodium salt
CAS: 10593-29-0 PubChem CID: 11413308 Formula: C₆H₁₁NaO₅S Molecular Weight: 218.2

◐ .Made to order · 8–12 wks Item #: T165691
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IUPAC Name

sodium;(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-thiolate

SMILES

C(C1C(C(C(C(O1)[S-])O)O)O)O.[Na+]

InChIKey
VKPBZIVFRYLHPT-WNFIKIDCSA-M

InChI

1S/C6H12O5S.Na/c7-1-2-3(8)4(9)5(10)6(12)11-2;/h2-10,12H,1H2;/q;+1/p-1/t2-,3-,4+,5-,6+;/m1./s1

Synonyms
sodium [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanide | BETA-D-THIOGLUCOSE SODIUM SALT | SCH...
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GSK3β inhibitor II, Inhibitor of glycogen synthase kinase 3 beta
CAS: 478482-75-6 Formula: C₁₄H₁₀IN₃OS Molecular Weight: 395.22

Moligand™ ? ≥95%

● In Stock — US warehouse, ships to EU* Item #: G338641
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IUPAC Name

2-[(3-iodophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole

SMILES

C1=CC(=CC(=C1)I)CSC2=NN=C(O2)C3=CC=NC=C3

InChIKey
ZRHRPGSSSVYBRG-UHFFFAOYSA-N

InChI

1S/C14H10IN3OS/c15-12-3-1-2-10(8-12)9-20-14-18-17-13(19-14)11-4-6-16-7-5-11/h1-8H,9H2

Synonyms
2-Thio(3-iodobenzyl)-5-(1-pyridyl)-[1,3,4]-oxadiazole | 2-{[(3-iodophenyl)methyl]sulfanyl}-5-(pyridin-4-yl)-1,3,4-oxa...
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GSK-3 Inhibitor XIII, Inhibitor of aurora kinase A;Inhibitor of glycogen synthase kinase 3 beta;Inhibitor of SRC proto-oncogene; non-receptor tyrosine kinase
CAS: 404828-08-6 Formula: C₁₈H₁₉N₅ Molecular Weight: 305.3

Moligand™ ? ≥98%

◐ .Made to order · 8–12 wks Item #: G338805
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Synonyms
(5-Methyl-1H-pyrazol-3-yl)-(2-phenylquinazolin-4-yl)amine
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GW 590735, Peroxisome proliferator-activated receptor alpha agonist
CAS: 622402-22-6 Formula: C₂₃H₂₁F₃N₂O₄S Molecular Weight: 478.48

≥98%

● In Stock — US warehouse, ships to EU* Item #: G275270
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IUPAC Name

2-methyl-2-[4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoic acid

SMILES

CC1=C(SC(=N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NCC3=CC=C(C=C3)OC(C)(C)C(=O)O

InChIKey
ILUPZUOBHCUBKB-UHFFFAOYSA-N

InChI

1S/C23H21F3N2O4S/c1-13-18(33-20(28-13)15-6-8-16(9-7-15)23(24,25)26)19(29)27-12-14-4-10-17(11-5-14)32-22(2,3)21(30)31/h4-11H,12H2,1-3H3,(H,27,29)(H,30,show more

Synonyms
HMS3650D07 | DB07215 | QKY617BBX5 | EX-A5892 | ILUPZUOBHCUBKB-UHFFFAOYSA-N | 2-methyl-2-{4-[({4-methyl-2-[4-(trifluor...
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Lysolipin I
CAS: 59113-57-4 Formula: C29H24ClNO11 Molecular Weight: 597.95

≥98%

◐ .Made to order · 8–12 wks Item #: L274829
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IUPAC Name

(7R,8R,12S,13R)-22-chloro-3,8,28-trihydroxy-7,12,21-trimethoxy-6-methyl-14,16,19-trioxa-6-azaheptacyclo[15.11.1.02,11.04,9.013,29.018,27.020,25]nonacoshow more

SMILES

CN1C(C(C2=C(C1=O)C(=C3C(=C2)C(C4C5=C3C(=C6C(=C5OCO4)OC7=C(C6=O)C=CC(=C7OC)Cl)O)OC)O)O)OC

InChIKey
NEOMIZJYHXSRLV-MVHMQXOSSA-N

InChI

1S/C29H24ClNO11/c1-31-28(36)14-10(19(33)29(31)39-4)7-11-13(20(14)34)15-16-25(22(11)37-2)40-8-41-26(16)27-17(21(15)35)18(32)9-5-6-12(30)24(38-3)23(9)42show more

Synonyms
(7R,8R,12S,13R)-22-chloro-3,8,28-trihydroxy-7,12,21-trimethoxy-6-methyl-14,16,19-trioxa-6-azaheptacyclo[15.11.1.02,11...
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GW 583340 dihydrochloride
CAS: 1173023-85-2 PubChem CID: 16219404 Formula: C₂₈H₂₅ClFN₅O₃S₂•2HCl Molecular Weight: 671.03

Moligand™ ? ≥97%(HPLC)

◐ .Made to order · 8–12 wks Item #: G286712
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IUPAC Name

N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[2-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-4-yl]quinazolin-4-amine;dihydrochloride

SMILES

CS(=O)(=O)CCNCC1=NC(=CS1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl.Cl.Cl

InChIKey
WIMITXDBYLKRKB-UHFFFAOYSA-N

InChI

1S/C28H25ClFN5O3S2.2ClH/c1-40(36,37)10-9-31-14-27-35-25(16-39-27)19-5-7-24-22(12-19)28(33-17-32-24)34-21-6-8-26(23(29)13-21)38-15-18-3-2-4-20(30)11-18show more

Synonyms
N-[3-Chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[2-[[[2-(methylsulfonyl)ethyl]amino]methyl]-4-thiazolyl]-4-quinazoli...
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GW 627368, Antagonist of EP 4 receptor
CAS: 439288-66-1 Formula: C₃₀H₂₈N₂O₆S Molecular Weight: 544.62

Moligand™ ? ≥98%(HPLC)

● In Stock — US warehouse, ships to EU* Item #: G288949
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IUPAC Name

N-(benzenesulfonyl)-2-[4-(4,9-diethoxy-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]acetamide

SMILES

CCOC1=C2CN(C(=O)C2=C(C3=CC=CC=C31)OCC)C4=CC=C(C=C4)CC(=O)NS(=O)(=O)C5=CC=CC=C5

InChIKey
XREWXJVMYAXCJV-UHFFFAOYSA-N

InChI

1S/C30H28N2O6S/c1-3-37-28-23-12-8-9-13-24(23)29(38-4-2)27-25(28)19-32(30(27)34)21-16-14-20(15-17-21)18-26(33)31-39(35,36)22-10-6-5-7-11-22/h5-17H,3-4,show more

Synonyms
A842355 | NSC 96380 | GW627368X | GW-627368X | BCP15277 | EX-A603 | GW 627368 | SY029966 | Benzeneacetamide, 4-(4,9-d...

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Frequently Asked Questions

What should I consider when selecting a Drug Discovery product?

Define the transformation first, then narrow the Drug Discovery listing by reactivity, compatibility with your solvent and temperature window, and scale. Where several grades exist, the higher-purity option is usually worth it for downstream steps that are hard to purify.

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Review the lot-specific Certificate of Analysis for the Drug Discovery product you have chosen: assay or HPLC purity, identity confirmation by NMR and MS, residual solvents where relevant, and appearance. For reactive or hygroscopic material the storage and handling notes matter as much as the purity figure. All products are supplied for professional research and development use only, and are not for use in humans, animals, diagnostics, or therapy.

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Yes. Within Drug Discovery you can search by CAS number, molecular formula, or SMILES to reach exact structures and close analogs, and filter by functional group, purity grade, and pack size. For pricing, bulk quantities, or account eligibility, contact [email protected].

This page is intended for visitors who want to source products by discovery use case rather than by catalog family. It brings together tools relevant to hit finding, target validation, mechanism studies, disease research, kinase assays, targeted protein degradation, ADC programs, and emerging therapeutic platforms such as gene and RNA therapy. Because drug discovery projects often span chemistry, biology, and analytics, it helps to review products by assay stage, target class, pathway relevance, screening format, and follow-up requirements. Related branches such as Targeted Protein Degradation, RAS Pathway, GPCR Pathway, PARP and DDR Pathway, and Biochemical Kinase Assays can help you narrow from a broad therapeutic objective to a more focused product selection.

Drug Discovery

Antibody-Drug Conjugate (ADCs) Discovery

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