G802-0491 Screening compound: 2-{[7-(4-fluorophenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-(4-methoxyphenyl)propanamide

G802-0491 Screening compound: 2-{[7-(4-fluorophenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-(4-methoxyphenyl)propanamide
G802-0491 Screening compound: 2-{[7-(4-fluorophenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-(4-methoxyphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G802-0491
2-{[7-(4-fluorophenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-(4-methoxyphenyl)propanamide

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

G802-0491

Molecular Formula

C21H18FN5O3S (C21 H18 FN5 O3 S)

Compound Name

2-{[7-(4-fluorophenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-(4-methoxyphenyl)propanamide

IUPAC name

2-{[7-(4-fluorophenyl)-8-oxo-7H8H-[124]triazolo[43-a]pyrazin-3-yl]sulfanyl}-N-(4-methoxyphenyl)propanamide

SMILES

CC(C(Nc(cc1)ccc1OC)=O)Sc1nnc2n1C=CN(c(cc1)ccc1F)C2=O

InChI

InChI=1S/C21H18FN5O3S/c1-13(19(28)23-15-5-9-17(30-2)10-6-15)31-21-25-24-18-20(29)26(11-12-27(18)21)16-7-3-14(22)4-8-16/h3-13H,1-2H3,(H,23,28)/t13-/m0/s1

InChI Key

GWSOEXLCUORTGY-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD27161426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.179

Distribution Coefficient, logD

2.179

Water Solubility, LogSw

-2.88

Polar Surface Area

69.609

Acid Dissociation Constant (pKa)

12.31

Base Dissociation Constant (pKb)

0.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with G802-0491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G802-0491?
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What is the minimum amount of G802-0491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G802-0491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G802-0491
  • 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 G802-0491 available by request