L849-0589 Screening compound: N-(4-chlorophenyl)-2-({4-ethyl-5-[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

L849-0589 Screening compound: N-(4-chlorophenyl)-2-({4-ethyl-5-[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
L849-0589 Screening compound: N-(4-chlorophenyl)-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 L849-0589
N-(4-chlorophenyl)-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

L849-0589

Molecular Formula

C23H23ClN6O2S (C23 H23 ClN6 O2 S)

Compound Name

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

SMILES

CCn1c(SCC(Nc(cc2)ccc2Cl)=O)nnc1-c1cn(C)nc1-c1cc(OC)ccc1

InChI

InChI=1S/C23H23ClN6O2S/c1-4-30-22(19-13-29(2)28-21(19)15-6-5-7-18(12-15)32-3)26-27-23(30)33-14-20(31)25-17-10-8-16(24)9-11-17/h5-13H,4,14H2,1-3H3,(H,25,31)

InChI Key

BIPWIZITLANNNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27479523

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.99

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

4.196

Distribution Coefficient, logD

4.195

Water Solubility, LogSw

-4.57

Polar Surface Area

69.743

Acid Dissociation Constant (pKa)

11.00

Base Dissociation Constant (pKb)

2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

L849-0589 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with L849-0589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L849-0589?
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What is the minimum amount of L849-0589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L849-0589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L849-0589
  • 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 L849-0589 available by request