L850-0289 Screening compound: 2-({4-ethyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one

L850-0289 Screening compound: 2-({4-ethyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one
L850-0289 Screening compound: 2-({4-ethyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L850-0289
2-({4-ethyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

L850-0289

Molecular Formula

C24H24N6O2S (C24 H24 N6 O2 S)

Compound Name

2-({4-ethyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one

IUPAC name

2-({4-ethyl-5-[3-(3-methylphenyl)-124-oxadiazol-5-yl]-4H-124-triazol-3-yl}sulfanyl)-1-(1234-tetrahydroisoquinolin-2-yl)ethan-1-one

SMILES

CCn1c(SCC(N(CC2)Cc3c2cccc3)=O)nnc1-c1nc(-c2cc(C)ccc2)no1

InChI

InChI=1S/C24H24N6O2S/c1-3-30-22(23-25-21(28-32-23)18-10-6-7-16(2)13-18)26-27-24(30)33-15-20(31)29-12-11-17-8-4-5-9-19(17)14-29/h4-10,13H,3,11-12,14-15H2,1-2H3

InChI Key

KRAIXZRBEAKDDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27479951

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.693

Distribution Coefficient, logD

4.693

Water Solubility, LogSw

-4.42

Polar Surface Area

71.697

Acid Dissociation Constant (pKa)

18.96

Base Dissociation Constant (pKb)

2.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

L850-0289 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L850-0289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L850-0289?
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What is the minimum amount of L850-0289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L850-0289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L850-0289
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of L850-0289 available by request