G802-1069 Screening compound: 3-{[(4-fluorophenyl)methyl]sulfanyl}-7-[4-(propan-2-yl)phenyl]-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one

G802-1069 Screening compound: 3-{[(4-fluorophenyl)methyl]sulfanyl}-7-[4-(propan-2-yl)phenyl]-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one
G802-1069 Screening compound: 3-{[(4-fluorophenyl)methyl]sulfanyl}-7-[4-(propan-2-yl)phenyl]-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G802-1069
3-{[(4-fluorophenyl)methyl]sulfanyl}-7-[4-(propan-2-yl)phenyl]-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

G802-1069

Molecular Formula

C21H19FN4OS (C21 H19 FN4 OS)

Compound Name

3-{[(4-fluorophenyl)methyl]sulfanyl}-7-[4-(propan-2-yl)phenyl]-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one

IUPAC name

3-{[(4-fluorophenyl)methyl]sulfanyl}-7-[4-(propan-2-yl)phenyl]-7H8H-[124]triazolo[43-a]pyrazin-8-one

SMILES

CC(C)c(cc1)ccc1N(C=Cn1c(SCc(cc2)ccc2F)nnc11)C1=O

InChI

InChI=1S/C21H19FN4OS/c1-14(2)16-5-9-18(10-6-16)25-11-12-26-19(20(25)27)23-24-21(26)28-13-15-3-7-17(22)8-4-15/h3-12,14H,13H2,1-2H3

InChI Key

KGLPRDAOHJKMEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27161848

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.428

Distribution Coefficient, logD

3.428

Water Solubility, LogSw

-3.66

Polar Surface Area

38.702

Acid Dissociation Constant (pKa)

23.93

Base Dissociation Constant (pKb)

0.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

G802-1069 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with G802-1069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G802-1069?
Check Price and Availability of G802-1069, 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 G802-1069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G802-1069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G802-1069
  • 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 G802-1069 available by request