G565-0300 Screening compound: 7-[({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

G565-0300 Screening compound: 7-[({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
G565-0300 Screening compound: 7-[({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G565-0300
7-[({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-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

G565-0300

Molecular Formula

C20H22N6O2S2 (C20 H22 N6 O2 S2)

Compound Name

7-[({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

IUPAC name

7-[({4-methyl-5-[(2-methylphenoxy)methyl]-4H-124-triazol-3-yl}sulfanyl)methyl]-2-(propan-2-yl)-5H-[134]thiadiazolo[32-a]pyrimidin-5-one

SMILES

CC(C)C(SC1=NC(CSc2nnc(COc3c(C)cccc3)n2C)=C2)=NN1C2=O

InChI

InChI=1S/C20H22N6O2S2/c1-12(2)18-24-26-17(27)9-14(21-19(26)30-18)11-29-20-23-22-16(25(20)4)10-28-15-8-6-5-7-13(15)3/h5-9,12H,10-11H2,1-4H3

InChI Key

XKGBZKCDBHTOOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15019936

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.343

Distribution Coefficient, logD

3.339

Water Solubility, LogSw

-3.64

Polar Surface Area

71.917

Acid Dissociation Constant (pKa)

22.41

Base Dissociation Constant (pKb)

5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

G565-0300 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G565-0300 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G565-0300?
Check Price and Availability of G565-0300, 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 G565-0300 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G565-0300
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G565-0300
  • 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 G565-0300 available by request