G856-6722 Screening compound: 3-({2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-5-methyl-7H,8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one

G856-6722 Screening compound: 3-({2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-5-methyl-7H,8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one
G856-6722 Screening compound: 3-({2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-5-methyl-7H,8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-6722
3-({2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-5-methyl-7H,8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-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

G856-6722

Molecular Formula

C24H21FN6O3S (C24 H21 FN6 O3 S)

Compound Name

3-({2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-5-methyl-7H,8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one

IUPAC name

3-({2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-5-methyl-7H8H-[124]triazolo[43-a]pyrimidin-7-one

SMILES

CC(n1c(SCC(N(C(C2)c(cc3)ccc3F)N=C2c(cc2)ccc2OC)=O)nnc1N1)=CC1=O

InChI

InChI=1S/C24H21FN6O3S/c1-14-11-21(32)26-23-27-28-24(30(14)23)35-13-22(33)31-20(16-3-7-17(25)8-4-16)12-19(29-31)15-5-9-18(34-2)10-6-15/h3-11,20H,12-13H2,1-2H3,(H,26,27,32)/t20-/m0/s1

InChI Key

BUYYETPDIILOIN-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD06714015

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.341

Distribution Coefficient, logD

3.325

Water Solubility, LogSw

-3.62

Polar Surface Area

85.861

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

G856-6722 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G856-6722 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-6722?
Check Price and Availability of G856-6722, 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 G856-6722 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-6722
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-6722
  • 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 G856-6722 available by request