G856-6729 Screening compound: 3-{[(4-fluorophenyl)methyl]sulfanyl}-5-methyl-7H,8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one

G856-6729 Screening compound: 3-{[(4-fluorophenyl)methyl]sulfanyl}-5-methyl-7H,8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one
G856-6729 Screening compound: 3-{[(4-fluorophenyl)methyl]sulfanyl}-5-methyl-7H,8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-6729
3-{[(4-fluorophenyl)methyl]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

G856-6729

Molecular Formula

C13H11FN4OS (C13 H11 FN4 OS)

Compound Name

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

IUPAC name

3-{[(4-fluorophenyl)methyl]sulfanyl}-5-methyl-7H8H-[124]triazolo[43-a]pyrimidin-7-one

SMILES

CC(n1c(SCc(cc2)ccc2F)nnc1N1)=CC1=O

InChI

InChI=1S/C13H11FN4OS/c1-8-6-11(19)15-12-16-17-13(18(8)12)20-7-9-2-4-10(14)5-3-9/h2-6H,7H2,1H3,(H,15,16,19)

InChI Key

DLEUNVZQVFUSOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06714031

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.624

Distribution Coefficient, logD

1.608

Water Solubility, LogSw

-2.45

Polar Surface Area

51.697

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

-3.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

G856-6729 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Fragments Library (11262 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G856-6729 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-6729?
Check Price and Availability of G856-6729, 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 G856-6729 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-6729
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-6729
  • 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 G856-6729 available by request