L850-0034 Screening compound: N-(2-chloro-4-methylphenyl)-2-({4-ethyl-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

L850-0034 Screening compound: N-(2-chloro-4-methylphenyl)-2-({4-ethyl-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
L850-0034 Screening compound: N-(2-chloro-4-methylphenyl)-2-({4-ethyl-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L850-0034
N-(2-chloro-4-methylphenyl)-2-({4-ethyl-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

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

L850-0034

Molecular Formula

C22H21ClN6O3S (C22 H21 ClN6 O3 S)

Compound Name

N-(2-chloro-4-methylphenyl)-2-({4-ethyl-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

IUPAC name

N-(2-chloro-4-methylphenyl)-2-({4-ethyl-5-[3-(4-methoxyphenyl)-124-oxadiazol-5-yl]-4H-124-triazol-3-yl}sulfanyl)acetamide

SMILES

CCn1c(SCC(Nc(ccc(C)c2)c2Cl)=O)nnc1-c1nc(-c(cc2)ccc2OC)no1

InChI

InChI=1S/C22H21ClN6O3S/c1-4-29-20(21-25-19(28-32-21)14-6-8-15(31-3)9-7-14)26-27-22(29)33-12-18(30)24-17-10-5-13(2)11-16(17)23/h5-11H,4,12H2,1-3H3,(H,24,30)

InChI Key

HVJOWVXPXQPVIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27479870

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.97

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.809

Distribution Coefficient, logD

4.809

Water Solubility, LogSw

-4.96

Polar Surface Area

85.638

Acid Dissociation Constant (pKa)

10.79

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

L850-0034 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 L850-0034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L850-0034?
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What is the minimum amount of L850-0034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L850-0034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L850-0034
  • 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 L850-0034 available by request