L108-0632 Screening compound: 1-{[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(2,3-dihydro-1H-inden-5-yl)-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione

L108-0632 Screening compound: 1-{[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(2,3-dihydro-1H-inden-5-yl)-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione
L108-0632 Screening compound: 1-{[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(2,3-dihydro-1H-inden-5-yl)-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 L108-0632
1-{[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(2,3-dihydro-1H-inden-5-yl)-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

L108-0632

Molecular Formula

C22H17BrN6O3 (C22 H17 BrN6 O3)

Compound Name

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

IUPAC name

1-{[3-(2-bromophenyl)-124-oxadiazol-5-yl]methyl}-5-(23-dihydro-1H-inden-5-yl)-1H3aH4H5H6H6aH-pyrrolo[34-d][123]triazole-46-dione

SMILES

O=C(C1N(Cc2nc(-c(cccc3)c3Br)no2)N=NC1C1=O)N1c1cc(CCC2)c2cc1

InChI

InChI=1S/C22H17BrN6O3/c23-16-7-2-1-6-15(16)20-24-17(32-26-20)11-28-19-18(25-27-28)21(30)29(22(19)31)14-9-8-12-4-3-5-13(12)10-14/h1-2,6-10,18-19H,3-5,11H2

InChI Key

GRLQZFMPLMLICI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27232651

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.32

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.963

Distribution Coefficient, logD

2.963

Water Solubility, LogSw

-3.42

Polar Surface Area

89.002

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.30

L108-0632 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)

SmartTM Library (51161 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 L108-0632 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L108-0632?
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What is the minimum amount of L108-0632 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L108-0632
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L108-0632
  • 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 L108-0632 available by request