G072-1796 Screening compound: 7-({[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

G072-1796 Screening compound: 7-({[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
G072-1796 Screening compound: 7-({[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G072-1796
7-({[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-phenyl-5H-[1,3]thiazolo[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

G072-1796

Molecular Formula

C22H17N5OS2 (C22 H17 N5 OS2)

Compound Name

7-({[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

IUPAC name

7-({[5-(4-methylphenyl)-4H-124-triazol-3-yl]sulfanyl}methyl)-3-phenyl-5H-[13]thiazolo[32-a]pyrimidin-5-one

SMILES

Cc(cc1)ccc1-c([nH]1)nnc1SCC(N=C1SC=C(c2ccccc2)N11)=CC1=O

InChI

InChI=1S/C22H17N5OS2/c1-14-7-9-16(10-8-14)20-24-21(26-25-20)29-12-17-11-19(28)27-18(13-30-22(27)23-17)15-5-3-2-4-6-15/h2-11,13H,12H2,1H3,(H,24,25,26)

InChI Key

CGJZDFRVPAHZAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14980251

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.968

Distribution Coefficient, logD

2.791

Water Solubility, LogSw

-4.07

Polar Surface Area

58.231

Acid Dissociation Constant (pKa)

5.32

Base Dissociation Constant (pKb)

2.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

G072-1796 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G072-1796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G072-1796?
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What is the minimum amount of G072-1796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G072-1796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G072-1796
  • 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 G072-1796 available by request