L850-1349 Screening compound: N-(4-acetylphenyl)-2-({5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

L850-1349 Screening compound: N-(4-acetylphenyl)-2-({5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
L850-1349 Screening compound: N-(4-acetylphenyl)-2-({5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L850-1349
N-(4-acetylphenyl)-2-({5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-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

L850-1349

Molecular Formula

C21H17FN6O3S (C21 H17 FN6 O3 S)

Compound Name

N-(4-acetylphenyl)-2-({5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

IUPAC name

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

SMILES

CC(c(cc1)ccc1NC(CSc1nnc(-c2nc(-c(cc3)ccc3F)no2)n1C)=O)=O

InChI

InChI=1S/C21H17FN6O3S/c1-12(29)13-5-9-16(10-6-13)23-17(30)11-32-21-26-25-19(28(21)2)20-24-18(27-31-20)14-3-7-15(22)8-4-14/h3-10H,11H2,1-2H3,(H,23,30)

InChI Key

RDGYUCNJPYWEPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27480025

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.060

Distribution Coefficient, logD

3.059

Water Solubility, LogSw

-3.32

Polar Surface Area

93.704

Acid Dissociation Constant (pKa)

10.70

Base Dissociation Constant (pKb)

0.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

L850-1349 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 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 L850-1349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L850-1349?
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What is the minimum amount of L850-1349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L850-1349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L850-1349
  • 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 L850-1349 available by request