L108-0136 Screening compound: 1-{[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(4-fluorophenyl)-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione

L108-0136 Screening compound: 1-{[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(4-fluorophenyl)-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione
L108-0136 Screening compound: 1-{[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(4-fluorophenyl)-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 L108-0136
1-{[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(4-fluorophenyl)-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

L108-0136

Molecular Formula

C19H12BrFN6O3 (C19 H12 BrFN6 O3)

Compound Name

1-{[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(4-fluorophenyl)-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-(4-fluorophenyl)-1H3aH4H5H6H6aH-pyrrolo[34-d][123]triazole-46-dione

SMILES

O=C(C1N(Cc2nc(-c(cccc3)c3Br)no2)N=NC1C1=O)N1c(cc1)ccc1F

InChI

InChI=1S/C19H12BrFN6O3/c20-13-4-2-1-3-12(13)17-22-14(30-24-17)9-26-16-15(23-25-26)18(28)27(19(16)29)11-7-5-10(21)6-8-11/h1-8,15-16H,9H2

InChI Key

TWVUHXSUIPSQPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16637289

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.25

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

2.165

Distribution Coefficient, logD

2.165

Water Solubility, LogSw

-2.83

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

15.80

L108-0136 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 L108-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L108-0136?
Check Price and Availability of L108-0136, 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 L108-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L108-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L108-0136
  • 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 L108-0136 available by request