6406-0401 Screening compound: N-(3,4-dimethylphenyl)-2-{[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetamide

6406-0401 Screening compound: N-(3,4-dimethylphenyl)-2-{[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetamide
6406-0401 Screening compound: N-(3,4-dimethylphenyl)-2-{[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6406-0401
N-(3,4-dimethylphenyl)-2-{[5-(2-methoxyphenyl)-1H-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

6406-0401

Molecular Formula

C19H20N4O2S (C19 H20 N4 O2 S)

Compound Name

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

IUPAC name

N-(34-dimethylphenyl)-2-{[5-(2-methoxyphenyl)-1H-124-triazol-3-yl]sulfanyl}acetamide

SMILES

Cc(cc1)c(C)cc1NC(CSc1n[nH]c(-c(cccc2)c2OC)n1)=O

InChI

InChI=1S/C19H20N4O2S/c1-12-8-9-14(10-13(12)2)20-17(24)11-26-19-21-18(22-23-19)15-6-4-5-7-16(15)25-3/h4-10H,11H2,1-3H3,(H,20,24)(H,21,22,23)

InChI Key

KGUYGVPLNVGOHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03677087

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.251

Distribution Coefficient, logD

4.206

Water Solubility, LogSw

-4.39

Polar Surface Area

63.254

Acid Dissociation Constant (pKa)

8.37

Base Dissociation Constant (pKb)

2.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

6406-0401 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 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:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
Targets:
  • Proteases
  • Proteases
  • Ion Channels

References: we are preparing a list of scientific research reports with 6406-0401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6406-0401?
Check Price and Availability of 6406-0401, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6406-0401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6406-0401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6406-0401
  • 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 6406-0401 available by request