G228-0132 Screening compound: 1-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-(3-methoxyphenyl)-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione

G228-0132 Screening compound: 1-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-(3-methoxyphenyl)-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione
G228-0132 Screening compound: 1-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-(3-methoxyphenyl)-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 G228-0132
1-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-(3-methoxyphenyl)-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

G228-0132

Molecular Formula

C22H18ClN5O4 (C22 H18 ClN5 O4)

Compound Name

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

IUPAC name

1-{[2-(4-chlorophenyl)-5-methyl-13-oxazol-4-yl]methyl}-5-(3-methoxyphenyl)-1H3aH4H5H6H6aH-pyrrolo[34-d][123]triazole-46-dione

SMILES

Cc1c(CN(C2C(N3c4cc(OC)ccc4)=O)N=NC2C3=O)nc(-c(cc2)ccc2Cl)o1

InChI

InChI=1S/C22H18ClN5O4/c1-12-17(24-20(32-12)13-6-8-14(23)9-7-13)11-27-19-18(25-26-27)21(29)28(22(19)30)15-4-3-5-16(10-15)31-2/h3-10,18-19H,11H2,1-2H3

InChI Key

GSSZRAKBQSDWEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14988955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.87

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.961

Distribution Coefficient, logD

2.961

Water Solubility, LogSw

-3.48

Polar Surface Area

83.038

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

0.44

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.70

G228-0132 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 G228-0132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G228-0132?
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What is the minimum amount of G228-0132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G228-0132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G228-0132
  • 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 G228-0132 available by request