G802-0067 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[7-(3-fluorophenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide

G802-0067 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[7-(3-fluorophenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide
G802-0067 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[7-(3-fluorophenyl)-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 G802-0067
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[7-(3-fluorophenyl)-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

G802-0067

Molecular Formula

C21H16FN5O4S (C21 H16 FN5 O4 S)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[7-(3-fluorophenyl)-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-(3-fluorophenyl)-8-oxo-7H8H-[124]triazolo[43-a]pyrazin-3-yl]sulfanyl}acetamide

SMILES

O=C(CSc1nnc2n1C=CN(c1cc(F)ccc1)C2=O)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C21H16FN5O4S/c22-13-2-1-3-15(10-13)26-6-7-27-19(20(26)29)24-25-21(27)32-12-18(28)23-14-4-5-16-17(11-14)31-9-8-30-16/h1-7,10-11H,8-9,12H2,(H,23,28)

InChI Key

KSNJROXXYVDSQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27161133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.799

Distribution Coefficient, logD

0.799

Water Solubility, LogSw

-2.33

Polar Surface Area

77.675

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

0.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

G802-0067 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with G802-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G802-0067?
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What is the minimum amount of G802-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G802-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G802-0067
  • 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 G802-0067 available by request