G802-0227 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[7-(2-methoxyphenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide

G802-0227 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[7-(2-methoxyphenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide
G802-0227 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[7-(2-methoxyphenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G802-0227
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[7-(2-methoxyphenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-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

G802-0227

Molecular Formula

C22H19N5O5S (C22 H19 N5 O5 S)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[7-(2-methoxyphenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-{[7-(2-methoxyphenyl)-8-oxo-7H8H-[124]triazolo[43-a]pyrazin-3-yl]sulfanyl}acetamide

SMILES

COc(cccc1)c1N(C=Cn1c(SCC(Nc(cc2)cc3c2OCCO3)=O)nnc11)C1=O

InChI

InChI=1S/C22H19N5O5S/c1-30-16-5-3-2-4-15(16)26-8-9-27-20(21(26)29)24-25-22(27)33-13-19(28)23-14-6-7-17-18(12-14)32-11-10-31-17/h2-9,12H,10-11,13H2,1H3,(H,23,28)

InChI Key

YLKGMIWRTNNROP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27161220

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.614

Distribution Coefficient, logD

0.614

Water Solubility, LogSw

-2.28

Polar Surface Area

85.004

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

G802-0227 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with G802-0227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G802-0227?
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What is the minimum amount of G802-0227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G802-0227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G802-0227
  • 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 G802-0227 available by request