L849-0586 Screening compound: 2-({4-ethyl-5-[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methylphenyl)acetamide

L849-0586 Screening compound: 2-({4-ethyl-5-[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methylphenyl)acetamide
L849-0586 Screening compound: 2-({4-ethyl-5-[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L849-0586
2-({4-ethyl-5-[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methylphenyl)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

L849-0586

Molecular Formula

C24H26N6O2S (C24 H26 N6 O2 S)

Compound Name

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

IUPAC name

2-({4-ethyl-5-[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-4H-124-triazol-3-yl}sulfanyl)-N-(4-methylphenyl)acetamide

SMILES

CCn1c(SCC(Nc2ccc(C)cc2)=O)nnc1-c1cn(C)nc1-c1cc(OC)ccc1

InChI

InChI=1S/C24H26N6O2S/c1-5-30-23(20-14-29(3)28-22(20)17-7-6-8-19(13-17)32-4)26-27-24(30)33-15-21(31)25-18-11-9-16(2)10-12-18/h6-14H,5,15H2,1-4H3,(H,25,31)

InChI Key

VELWGYZTNPUERV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27479521

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.024

Distribution Coefficient, logD

4.024

Water Solubility, LogSw

-4.02

Polar Surface Area

69.743

Acid Dissociation Constant (pKa)

12.68

Base Dissociation Constant (pKb)

2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

L849-0586 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with L849-0586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L849-0586?
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What is the minimum amount of L849-0586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L849-0586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L849-0586
  • 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 L849-0586 available by request