L849-0543 Screening compound: N-(2,3-dimethylphenyl)-2-({4-ethyl-5-[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

L849-0543 Screening compound: N-(2,3-dimethylphenyl)-2-({4-ethyl-5-[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
L849-0543 Screening compound: N-(2,3-dimethylphenyl)-2-({4-ethyl-5-[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L849-0543
N-(2,3-dimethylphenyl)-2-({4-ethyl-5-[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-4-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

L849-0543

Molecular Formula

C25H28N6O2S (C25 H28 N6 O2 S)

Compound Name

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

IUPAC name

N-(23-dimethylphenyl)-2-({4-ethyl-5-[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-4H-124-triazol-3-yl}sulfanyl)acetamide

SMILES

CCn1c(SCC(Nc2c(C)c(C)ccc2)=O)nnc1-c1cn(C)nc1-c1cc(OC)ccc1

InChI

InChI=1S/C25H28N6O2S/c1-6-31-24(20-14-30(4)29-23(20)18-10-8-11-19(13-18)33-5)27-28-25(31)34-15-22(32)26-21-12-7-9-16(2)17(21)3/h7-14H,6,15H2,1-5H3,(H,26,32)

InChI Key

KQGQVTJJMYMNSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27479495

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.6

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

4.231

Distribution Coefficient, logD

4.231

Water Solubility, LogSw

-4.19

Polar Surface Area

69.045

Acid Dissociation Constant (pKa)

12.74

Base Dissociation Constant (pKb)

2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

L849-0543 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system

References: we are preparing a list of scientific research reports with L849-0543 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L849-0543?
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What is the minimum amount of L849-0543 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L849-0543
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L849-0543
  • 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 L849-0543 available by request