4839-0013 Screening compound: 2-{[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide

4839-0013 Screening compound: 2-{[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide
4839-0013 Screening compound: 2-{[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4839-0013
2-{[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)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

4839-0013

Molecular Formula

C27H26N4O5S (C27 H26 N4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C27H26N4O5S/c1-33-20-10-5-17(6-11-20)25-26(18-7-12-21(34-2)13-8-18)30-31-27(29-25)37-16-24(32)28-19-9-14-22(35-3)23(15-19)36-4/h5-15H,16H2,1-4H3,(H,28,32)

InChI Key

QCBRSMGIJLZYSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03081660

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.133

Distribution Coefficient, logD

4.133

Water Solubility, LogSw

-4.32

Polar Surface Area

84.883

Acid Dissociation Constant (pKa)

11.49

Base Dissociation Constant (pKb)

2.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

4839-0013 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 4839-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4839-0013?
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What is the minimum amount of 4839-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4839-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4839-0013
  • 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 4839-0013 available by request