L108-0654 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-1-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione

L108-0654 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-1-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione
L108-0654 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-1-{[3-(2H-1,3-benzodioxol-5-yl)-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 L108-0654
5-(2H-1,3-benzodioxol-5-yl)-1-{[3-(2H-1,3-benzodioxol-5-yl)-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

L108-0654

Molecular Formula

C21H14N6O7 (C21 H14 N6 O7)

Compound Name

5-(2H-1,3-benzodioxol-5-yl)-1-{[3-(2H-1,3-benzodioxol-5-yl)-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-(2H-13-benzodioxol-5-yl)-1-{[3-(2H-13-benzodioxol-5-yl)-124-oxadiazol-5-yl]methyl}-1H3aH4H5H6H6aH-pyrrolo[34-d][123]triazole-46-dione

SMILES

O=C(C1N(Cc2nc(-c(cc3)cc4c3OCO4)no2)N=NC1C1=O)N1c(cc1)cc2c1OCO2

InChI

InChI=1S/C21H14N6O7/c28-20-17-18(21(29)27(20)11-2-4-13-15(6-11)33-9-31-13)26(25-23-17)7-16-22-19(24-34-16)10-1-3-12-14(5-10)32-8-30-12/h1-6,17-18H,7-9H2

InChI Key

VXYALICJXDDGIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16635375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.38

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

1.994

Distribution Coefficient, logD

1.994

Water Solubility, LogSw

-2.75

Polar Surface Area

122.946

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.80

L108-0654 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 L108-0654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L108-0654?
Check Price and Availability of L108-0654, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L108-0654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L108-0654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L108-0654
  • 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 L108-0654 available by request