L108-1063 Screening compound: 1-{[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(4-ethoxyphenyl)-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione

L108-1063 Screening compound: 1-{[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(4-ethoxyphenyl)-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione
L108-1063 Screening compound: 1-{[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(4-ethoxyphenyl)-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 L108-1063
1-{[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(4-ethoxyphenyl)-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

L108-1063

Molecular Formula

C21H17BrN6O4 (C21 H17 BrN6 O4)

Compound Name

1-{[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(4-ethoxyphenyl)-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione

IUPAC name

1-{[3-(4-bromophenyl)-124-oxadiazol-5-yl]methyl}-5-(4-ethoxyphenyl)-1H3aH4H5H6H6aH-pyrrolo[34-d][123]triazole-46-dione

SMILES

CCOc(cc1)ccc1N(C(C1N(Cc2nc(-c(cc3)ccc3Br)no2)N=NC11)=O)C1=O

InChI

InChI=1S/C21H17BrN6O4/c1-2-31-15-9-7-14(8-10-15)28-20(29)17-18(21(28)30)27(26-24-17)11-16-23-19(25-32-16)12-3-5-13(22)6-4-12/h3-10,17-18H,2,11H2,1H3

InChI Key

LIBGFZILODBWJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16638730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.31

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.320

Distribution Coefficient, logD

3.320

Water Solubility, LogSw

-3.31

Polar Surface Area

95.839

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.80

L108-1063 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 L108-1063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L108-1063?
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What is the minimum amount of L108-1063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L108-1063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L108-1063
  • 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 L108-1063 available by request