G228-0097 Screening compound: 5-(4-fluorophenyl)-1-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione

G228-0097 Screening compound: 5-(4-fluorophenyl)-1-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione
G228-0097 Screening compound: 5-(4-fluorophenyl)-1-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G228-0097
5-(4-fluorophenyl)-1-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione

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

G228-0097

Molecular Formula

C22H18FN5O3 (C22 H18 FN5 O3)

Compound Name

5-(4-fluorophenyl)-1-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione

IUPAC name

5-(4-fluorophenyl)-1-{[5-methyl-2-(4-methylphenyl)-13-oxazol-4-yl]methyl}-1H3aH4H5H6H6aH-pyrrolo[34-d][123]triazole-46-dione

SMILES

Cc1c(CN(C2C(N3c(cc4)ccc4F)=O)N=NC2C3=O)nc(-c2ccc(C)cc2)o1

InChI

InChI=1S/C22H18FN5O3/c1-12-3-5-14(6-4-12)20-24-17(13(2)31-20)11-27-19-18(25-26-27)21(29)28(22(19)30)16-9-7-15(23)8-10-16/h3-10,18-19H,11H2,1-2H3

InChI Key

LAQBAPRFEZGYCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08141318

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.655

Distribution Coefficient, logD

2.655

Water Solubility, LogSw

-2.83

Polar Surface Area

75.495

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

1.19

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.70

G228-0097 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Proteases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G228-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G228-0097?
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What is the minimum amount of G228-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G228-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G228-0097
  • 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 G228-0097 available by request