G228-0143 Screening compound: 5-(4-fluorophenyl)-1-({5-methyl-2-[4-(propan-2-yloxy)phenyl]-1,3-oxazol-4-yl}methyl)-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione

G228-0143 Screening compound: 5-(4-fluorophenyl)-1-({5-methyl-2-[4-(propan-2-yloxy)phenyl]-1,3-oxazol-4-yl}methyl)-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione
G228-0143 Screening compound: 5-(4-fluorophenyl)-1-({5-methyl-2-[4-(propan-2-yloxy)phenyl]-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 G228-0143
5-(4-fluorophenyl)-1-({5-methyl-2-[4-(propan-2-yloxy)phenyl]-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

G228-0143

Molecular Formula

C24H22FN5O4 (C24 H22 FN5 O4)

Compound Name

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

SMILES

CC(C)Oc(cc1)ccc1-c1nc(CN(C2C(N3c(cc4)ccc4F)=O)N=NC2C3=O)c(C)o1

InChI

InChI=1S/C24H22FN5O4/c1-13(2)33-18-10-4-15(5-11-18)22-26-19(14(3)34-22)12-29-21-20(27-28-29)23(31)30(24(21)32)17-8-6-16(25)7-9-17/h4-11,13,20-21H,12H2,1-3H3

InChI Key

XAUNDGGWMQMRKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14988959

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.898

Distribution Coefficient, logD

2.898

Water Solubility, LogSw

-3.12

Polar Surface Area

82.297

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

0.23

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.20

G228-0143 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

New Agro Library (44492 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G228-0143 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G228-0143?
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What is the minimum amount of G228-0143 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G228-0143
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G228-0143
  • 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 G228-0143 available by request