6232-1123 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

6232-1123 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
6232-1123 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6232-1123
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[5-(phenoxymethyl)-4-phenyl-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

6232-1123

Molecular Formula

C27H28N4O4S (C27 H28 N4 O4 S)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-2-{[5-(phenoxymethyl)-4-phenyl-4H-124-triazol-3-yl]sulfanyl}acetamide

SMILES

COc(ccc(CCNC(CSc1nnc(COc2ccccc2)n1-c1ccccc1)=O)c1)c1OC

InChI

InChI=1S/C27H28N4O4S/c1-33-23-14-13-20(17-24(23)34-2)15-16-28-26(32)19-36-27-30-29-25(18-35-22-11-7-4-8-12-22)31(27)21-9-5-3-6-10-21/h3-14,17H,15-16,18-19H2,1-2H3,(H,28,32)

InChI Key

SNIGWOLQQWMGHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01797422

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.029

Distribution Coefficient, logD

3.029

Water Solubility, LogSw

-3.35

Polar Surface Area

72.762

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

6232-1123 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6232-1123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6232-1123?
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What is the minimum amount of 6232-1123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6232-1123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6232-1123
  • 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 6232-1123 available by request