4839-0003 Screening compound: N-(4-acetylphenyl)-2-{[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}acetamide

4839-0003 Screening compound: N-(4-acetylphenyl)-2-{[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}acetamide
4839-0003 Screening compound: N-(4-acetylphenyl)-2-{[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4839-0003
N-(4-acetylphenyl)-2-{[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-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

4839-0003

Molecular Formula

C27H24N4O4S (C27 H24 N4 O4 S)

Compound Name

N-(4-acetylphenyl)-2-{[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}acetamide

IUPAC name

N-(4-acetylphenyl)-2-{[56-bis(4-methoxyphenyl)-124-triazin-3-yl]sulfanyl}acetamide

SMILES

CC(c(cc1)ccc1NC(CSc1nnc(-c(cc2)ccc2OC)c(-c(cc2)ccc2OC)n1)=O)=O

InChI

InChI=1S/C27H24N4O4S/c1-17(32)18-4-10-21(11-5-18)28-24(33)16-36-27-29-25(19-6-12-22(34-2)13-7-19)26(30-31-27)20-8-14-23(35-3)15-9-20/h4-15H,16H2,1-3H3,(H,28,33)

InChI Key

VOTWUZHTGPQUOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03295695

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.140

Distribution Coefficient, logD

4.140

Water Solubility, LogSw

-4.18

Polar Surface Area

83.449

Acid Dissociation Constant (pKa)

10.70

Base Dissociation Constant (pKb)

-1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

4839-0003 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anticancer Library (62698 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4839-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4839-0003?
Check Price and Availability of 4839-0003, 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 4839-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4839-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4839-0003
  • 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 4839-0003 available by request