8006-6578 Screening compound: 2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethylphenyl)acetamide

8006-6578 Screening compound: 2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethylphenyl)acetamide
8006-6578 Screening compound: 2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-6578
2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethylphenyl)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

8006-6578

Molecular Formula

C26H26N4O3S (C26 H26 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1NC(CSc1nnc(-c(cc2)cc(OC)c2OC)n1-c1ccccc1)=O

InChI

InChI=1S/C26H26N4O3S/c1-4-18-10-13-20(14-11-18)27-24(31)17-34-26-29-28-25(30(26)21-8-6-5-7-9-21)19-12-15-22(32-2)23(16-19)33-3/h5-16H,4,17H2,1-3H3,(H,27,31)

InChI Key

HFOXQQNTFUNZRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00754623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.219

Distribution Coefficient, logD

5.219

Water Solubility, LogSw

-5.05

Polar Surface Area

63.123

Acid Dissociation Constant (pKa)

12.77

Base Dissociation Constant (pKb)

2.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

8006-6578 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
Targets:
  • Proteases
  • Ion Channels

References: we are preparing a list of scientific research reports with 8006-6578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-6578?
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What is the minimum amount of 8006-6578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-6578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-6578
  • 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 8006-6578 available by request