G565-0602 Screening compound: 7-[({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-2-(2-methylpropyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

G565-0602 Screening compound: 7-[({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-2-(2-methylpropyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
G565-0602 Screening compound: 7-[({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-2-(2-methylpropyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G565-0602
7-[({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-2-(2-methylpropyl)-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

G565-0602

Molecular Formula

C21H24N6O2S2 (C21 H24 N6 O2 S2)

Compound Name

7-[({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-2-(2-methylpropyl)-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-(2-methylpropyl)-5H-[134]thiadiazolo[32-a]pyrimidin-5-one

SMILES

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

InChI

InChI=1S/C21H24N6O2S2/c1-13(2)9-18-25-27-19(28)10-15(22-20(27)31-18)12-30-21-24-23-17(26(21)4)11-29-16-8-6-5-7-14(16)3/h5-8,10,13H,9,11-12H2,1-4H3

InChI Key

NWMBRQTYGFFEQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15019940

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.735

Distribution Coefficient, logD

3.733

Water Solubility, LogSw

-4.14

Polar Surface Area

71.820

Acid Dissociation Constant (pKa)

22.90

Base Dissociation Constant (pKb)

4.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

G565-0602 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G565-0602 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G565-0602?
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What is the minimum amount of G565-0602 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G565-0602
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G565-0602
  • 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 G565-0602 available by request