L108-0690 Screening compound: 1-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(3,4-difluorophenyl)-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione

L108-0690 Screening compound: 1-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(3,4-difluorophenyl)-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione
L108-0690 Screening compound: 1-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(3,4-difluorophenyl)-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 L108-0690
1-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(3,4-difluorophenyl)-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

L108-0690

Molecular Formula

C19H11ClF2N6O3 (C19 H11 ClF2 N6 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(C1N(Cc2nc(-c(cc3)ccc3Cl)no2)N=NC1C1=O)N1c(cc1)cc(F)c1F

InChI

InChI=1S/C19H11ClF2N6O3/c20-10-3-1-9(2-4-10)17-23-14(31-25-17)8-27-16-15(24-26-27)18(29)28(19(16)30)11-5-6-12(21)13(22)7-11/h1-7,15-16H,8H2

InChI Key

YGROKAHNVGNDJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27232655

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.78

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

3.080

Distribution Coefficient, logD

3.080

Water Solubility, LogSw

-3.57

Polar Surface Area

88.716

Acid Dissociation Constant (pKa)

10.57

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

15.80

L108-0690 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 L108-0690 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L108-0690?
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What is the minimum amount of L108-0690 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L108-0690
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L108-0690
  • 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 L108-0690 available by request