C592-1984 Screening compound: ethyl 4-{2-[(4-ethyl-5-{[(4-methoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate

C592-1984 Screening compound: ethyl 4-{2-[(4-ethyl-5-{[(4-methoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate
C592-1984 Screening compound: ethyl 4-{2-[(4-ethyl-5-{[(4-methoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C592-1984
ethyl 4-{2-[(4-ethyl-5-{[(4-methoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate

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

C592-1984

Molecular Formula

C24H27N5O5S (C24 H27 N5 O5 S)

Compound Name

ethyl 4-{2-[(4-ethyl-5-{[(4-methoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate

IUPAC name

ethyl 4-{2-[(4-ethyl-5-{[(4-methoxyphenyl)formamido]methyl}-4H-124-triazol-3-yl)sulfanyl]acetamido}benzoate

SMILES

CCn1c(SCC(Nc(cc2)ccc2C(OCC)=O)=O)nnc1CNC(c(cc1)ccc1OC)=O

InChI

InChI=1S/C24H27N5O5S/c1-4-29-20(14-25-22(31)16-8-12-19(33-3)13-9-16)27-28-24(29)35-15-21(30)26-18-10-6-17(7-11-18)23(32)34-5-2/h6-13H,4-5,14-15H2,1-3H3,(H,25,31)(H,26,30)

InChI Key

ZLZAAJOOEVUDRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04127781

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.219

Distribution Coefficient, logD

3.219

Water Solubility, LogSw

-3.46

Polar Surface Area

101.073

Acid Dissociation Constant (pKa)

11.11

Base Dissociation Constant (pKb)

3.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

C592-1984 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C592-1984 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C592-1984?
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What is the minimum amount of C592-1984 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-1984
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-1984
  • 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 C592-1984 available by request