G228-0114 Screening compound: 1-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-5-[4-(propan-2-yl)phenyl]-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione

G228-0114 Screening compound: 1-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-5-[4-(propan-2-yl)phenyl]-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione
G228-0114 Screening compound: 1-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-5-[4-(propan-2-yl)phenyl]-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 G228-0114
1-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-5-[4-(propan-2-yl)phenyl]-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

G228-0114

Molecular Formula

C25H25N5O3 (C25 H25 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c(cc1)ccc1N(C(C1N(Cc2c(C)oc(-c3ccc(C)cc3)n2)N=NC11)=O)C1=O

InChI

InChI=1S/C25H25N5O3/c1-14(2)17-9-11-19(12-10-17)30-24(31)21-22(25(30)32)29(28-27-21)13-20-16(4)33-23(26-20)18-7-5-15(3)6-8-18/h5-12,14,21-22H,13H2,1-4H3

InChI Key

HRFUSUUIXDJYED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08141319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.964

Distribution Coefficient, logD

3.964

Water Solubility, LogSw

-4.05

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

32.00

G228-0114 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Cysteine Proteases Inhibitors Library (7839 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
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with G228-0114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G228-0114?
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What is the minimum amount of G228-0114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G228-0114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G228-0114
  • 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 G228-0114 available by request