4839-0010 Screening compound: 2-{[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

4839-0010 Screening compound: 2-{[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
4839-0010 Screening compound: 2-{[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4839-0010
2-{[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]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

4839-0010

Molecular Formula

C29H30N4O5S (C29 H30 N4 O5 S)

Compound Name

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

IUPAC name

2-{[56-bis(4-methoxyphenyl)-124-triazin-3-yl]sulfanyl}-N-[2-(34-dimethoxyphenyl)ethyl]acetamide

SMILES

COc(cc1)ccc1-c1nc(SCC(NCCc(cc2)cc(OC)c2OC)=O)nnc1-c(cc1)ccc1OC

InChI

InChI=1S/C29H30N4O5S/c1-35-22-10-6-20(7-11-22)27-28(21-8-12-23(36-2)13-9-21)32-33-29(31-27)39-18-26(34)30-16-15-19-5-14-24(37-3)25(17-19)38-4/h5-14,17H,15-16,18H2,1-4H3,(H,30,34)

InChI Key

GSHOBVAWVXXCJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03081665

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

546.65

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.571

Distribution Coefficient, logD

3.571

Water Solubility, LogSw

-3.90

Polar Surface Area

86.046

Acid Dissociation Constant (pKa)

14.66

Base Dissociation Constant (pKb)

3.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

4839-0010 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 4839-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4839-0010?
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What is the minimum amount of 4839-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4839-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4839-0010
  • 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 4839-0010 available by request