L849-0343 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-({5-[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

L849-0343 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-({5-[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
L849-0343 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-({5-[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L849-0343
N-(2H-1,3-benzodioxol-5-yl)-2-({5-[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]-4-ethyl-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

L849-0343

Molecular Formula

C23H21ClN6O3S (C23 H21 ClN6 O3 S)

Compound Name

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

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-({5-[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]-4-ethyl-4H-124-triazol-3-yl}sulfanyl)acetamide

SMILES

CCn1c(SCC(Nc(cc2)cc3c2OCO3)=O)nnc1-c1cn(C)nc1-c(cc1)ccc1Cl

InChI

InChI=1S/C23H21ClN6O3S/c1-3-30-22(17-11-29(2)28-21(17)14-4-6-15(24)7-5-14)26-27-23(30)34-12-20(31)25-16-8-9-18-19(10-16)33-13-32-18/h4-11H,3,12-13H2,1-2H3,(H,25,31)

InChI Key

CXJPVGDHOJBFHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27479483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.98

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.880

Distribution Coefficient, logD

3.880

Water Solubility, LogSw

-4.35

Polar Surface Area

79.314

Acid Dissociation Constant (pKa)

11.49

Base Dissociation Constant (pKb)

3.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

L849-0343 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

CNS Targets (44014 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system

References: we are preparing a list of scientific research reports with L849-0343 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L849-0343?
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What is the minimum amount of L849-0343 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L849-0343
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L849-0343
  • 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 L849-0343 available by request