L108-0547 Screening compound: 5-(3,4-dimethoxyphenyl)-1-({3-[4-(propan-2-yloxy)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione

L108-0547 Screening compound: 5-(3,4-dimethoxyphenyl)-1-({3-[4-(propan-2-yloxy)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione
L108-0547 Screening compound: 5-(3,4-dimethoxyphenyl)-1-({3-[4-(propan-2-yloxy)phenyl]-1,2,4-oxadiazol-5-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 L108-0547
5-(3,4-dimethoxyphenyl)-1-({3-[4-(propan-2-yloxy)phenyl]-1,2,4-oxadiazol-5-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

L108-0547

Molecular Formula

C24H24N6O6 (C24 H24 N6 O6)

Compound Name

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

IUPAC name

5-(34-dimethoxyphenyl)-1-({3-[4-(propan-2-yloxy)phenyl]-124-oxadiazol-5-yl}methyl)-1H3aH4H5H6H6aH-pyrrolo[34-d][123]triazole-46-dione

SMILES

CC(C)Oc(cc1)ccc1-c1noc(CN(C2C(N3c(cc4)cc(OC)c4OC)=O)N=NC2C3=O)n1

InChI

InChI=1S/C24H24N6O6/c1-13(2)35-16-8-5-14(6-9-16)22-25-19(36-27-22)12-29-21-20(26-28-29)23(31)30(24(21)32)15-7-10-17(33-3)18(11-15)34-4/h5-11,13,20-21H,12H2,1-4H3

InChI Key

NCYGJBKTCHXCML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27232639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.49

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.441

Distribution Coefficient, logD

2.441

Water Solubility, LogSw

-2.97

Polar Surface Area

110.779

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

L108-0547 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 L108-0547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L108-0547?
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What is the minimum amount of L108-0547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L108-0547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L108-0547
  • 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 L108-0547 available by request