E798-1327 Screening compound: 2-{[5,6-bis(3-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

E798-1327 Screening compound: 2-{[5,6-bis(3-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
E798-1327 Screening compound: 2-{[5,6-bis(3-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E798-1327
2-{[5,6-bis(3-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)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

E798-1327

Molecular Formula

C27H24N4O5S (C27 H24 N4 O5 S)

Compound Name

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

IUPAC name

2-{[56-bis(3-methoxyphenyl)-124-triazin-3-yl]sulfanyl}-N-(23-dihydro-14-benzodioxin-6-yl)acetamide

SMILES

COc1cccc(-c2nc(SCC(Nc(cc3)cc4c3OCCO4)=O)nnc2-c2cc(OC)ccc2)c1

InChI

InChI=1S/C27H24N4O5S/c1-33-20-7-3-5-17(13-20)25-26(18-6-4-8-21(14-18)34-2)30-31-27(29-25)37-16-24(32)28-19-9-10-22-23(15-19)36-12-11-35-22/h3-10,13-15H,11-12,16H2,1-2H3,(H,28,32)

InChI Key

PSLGJAFUAZEMOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14920063

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.903

Distribution Coefficient, logD

3.903

Water Solubility, LogSw

-4.05

Polar Surface Area

85.445

Acid Dissociation Constant (pKa)

11.49

Base Dissociation Constant (pKb)

2.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

E798-1327 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with E798-1327 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E798-1327?
Check Price and Availability of E798-1327, 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 E798-1327 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E798-1327
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E798-1327
  • 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 E798-1327 available by request