L108-0285 Screening compound: 1-{[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-[4-(propan-2-yl)phenyl]-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione

L108-0285 Screening compound: 1-{[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-[4-(propan-2-yl)phenyl]-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione
L108-0285 Screening compound: 1-{[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-[4-(propan-2-yl)phenyl]-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 L108-0285
1-{[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-[4-(propan-2-yl)phenyl]-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

L108-0285

Molecular Formula

C22H19ClN6O3 (C22 H19 ClN6 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c(cc1)ccc1N(C(C1N(Cc2nc(-c(cccc3)c3Cl)no2)N=NC11)=O)C1=O

InChI

InChI=1S/C22H19ClN6O3/c1-12(2)13-7-9-14(10-8-13)29-21(30)18-19(22(29)31)28(27-25-18)11-17-24-20(26-32-17)15-5-3-4-6-16(15)23/h3-10,12,18-19H,11H2,1-2H3

InChI Key

DKIOTOUWTOCSJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27232632

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.88

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.622

Distribution Coefficient, logD

3.621

Water Solubility, LogSw

-3.92

Polar Surface Area

88.716

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.30

L108-0285 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 L108-0285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L108-0285?
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What is the minimum amount of L108-0285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L108-0285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L108-0285
  • 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 L108-0285 available by request