L850-0023 Screening compound: N-(4-chloro-2-fluorophenyl)-2-({4-ethyl-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

L850-0023 Screening compound: N-(4-chloro-2-fluorophenyl)-2-({4-ethyl-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
L850-0023 Screening compound: N-(4-chloro-2-fluorophenyl)-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 L850-0023
N-(4-chloro-2-fluorophenyl)-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

L850-0023

Molecular Formula

C21H18ClFN6O3S (C21 H18 ClFN6 O3 S)

Compound Name

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

SMILES

CCn1c(SCC(Nc(ccc(Cl)c2)c2F)=O)nnc1-c1nc(-c(cc2)ccc2OC)no1

InChI

InChI=1S/C21H18ClFN6O3S/c1-3-29-19(20-25-18(28-32-20)12-4-7-14(31-2)8-5-12)26-27-21(29)33-11-17(30)24-16-9-6-13(22)10-15(16)23/h4-10H,3,11H2,1-2H3,(H,24,30)

InChI Key

KYBUHRHBPSDFFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27479866

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.93

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

4.707

Distribution Coefficient, logD

4.699

Water Solubility, LogSw

-4.82

Polar Surface Area

85.638

Acid Dissociation Constant (pKa)

9.12

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

L850-0023 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 L850-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L850-0023?
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What is the minimum amount of L850-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L850-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L850-0023
  • 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 L850-0023 available by request