G856-6737 Screening compound: methyl 5-{[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]methyl}-2-furoate

G856-6737 Screening compound: methyl 5-{[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]methyl}-2-furoate
G856-6737 Screening compound: methyl 5-{[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]methyl}-2-furoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-6737
methyl 5-{[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]methyl}-2-furoate

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

G856-6737

Molecular Formula

C13H12N4O4S (C13 H12 N4 O4 S)

Compound Name

methyl 5-{[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]methyl}-2-furoate

IUPAC name

methyl 5-[({5-methyl-7-oxo-7H8H-[124]triazolo[43-a]pyrimidin-3-yl}sulfanyl)methyl]furan-2-carboxylate

SMILES

CC(n1c(SCc2ccc(C(OC)=O)o2)nnc1N1)=CC1=O

InChI

InChI=1S/C13H12N4O4S/c1-7-5-10(18)14-12-15-16-13(17(7)12)22-6-8-3-4-9(21-8)11(19)20-2/h3-5H,6H2,1-2H3,(H,14,15,18)

InChI Key

PFZPROJCNXRPQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06714041

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.33

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.330

Distribution Coefficient, logD

1.314

Water Solubility, LogSw

-2.25

Polar Surface Area

80.712

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

-3.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.08

G856-6737 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G856-6737 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-6737?
Check Price and Availability of G856-6737, 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 G856-6737 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-6737
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-6737
  • 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 G856-6737 available by request