G802-0752 Screening compound: 3-({2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-7-(3-methoxyphenyl)-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one

G802-0752 Screening compound: 3-({2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-7-(3-methoxyphenyl)-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one
G802-0752 Screening compound: 3-({2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-7-(3-methoxyphenyl)-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G802-0752
3-({2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-7-(3-methoxyphenyl)-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one

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

G802-0752

Molecular Formula

C24H23FN6O3S (C24 H23 FN6 O3 S)

Compound Name

3-({2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-7-(3-methoxyphenyl)-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one

IUPAC name

3-({2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-7-(3-methoxyphenyl)-7H8H-[124]triazolo[43-a]pyrazin-8-one

SMILES

COc1cccc(N(C=Cn2c(SCC(N(CC3)CCN3c(cc3)ccc3F)=O)nnc22)C2=O)c1

InChI

InChI=1S/C24H23FN6O3S/c1-34-20-4-2-3-19(15-20)30-13-14-31-22(23(30)33)26-27-24(31)35-16-21(32)29-11-9-28(10-12-29)18-7-5-17(25)6-8-18/h2-8,13-15H,9-12,16H2,1H3

InChI Key

SWTTXMYJYVUOOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27161675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.964

Distribution Coefficient, logD

1.964

Water Solubility, LogSw

-2.57

Polar Surface Area

65.899

Acid Dissociation Constant (pKa)

20.23

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with G802-0752 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G802-0752?
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What is the minimum amount of G802-0752 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G802-0752
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G802-0752
  • 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 G802-0752 available by request