G856-6654 Screening compound: 5-methyl-3-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-7H,8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one

G856-6654 Screening compound: 5-methyl-3-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-7H,8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one
G856-6654 Screening compound: 5-methyl-3-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-7H,8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-6654
5-methyl-3-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-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

G856-6654

Molecular Formula

C13H17N5O2S (C13 H17 N5 O2 S)

Compound Name

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

IUPAC name

5-methyl-3-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-7H8H-[124]triazolo[43-a]pyrimidin-7-one

SMILES

CC(n1c(SCC(N2CCCCC2)=O)nnc1N1)=CC1=O

InChI

InChI=1S/C13H17N5O2S/c1-9-7-10(19)14-12-15-16-13(18(9)12)21-8-11(20)17-5-3-2-4-6-17/h7H,2-6,8H2,1H3,(H,14,15,19)

InChI Key

XKABTOHAKMHMPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06713940

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.534

Distribution Coefficient, logD

0.517

Water Solubility, LogSw

-2.01

Polar Surface Area

68.090

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

-0.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.80

G856-6654 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G856-6654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-6654?
Check Price and Availability of G856-6654, 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 G856-6654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-6654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-6654
  • 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 G856-6654 available by request