L109-0342 Screening compound: 5-(4-fluorophenyl)-1-(4-methylphenyl)-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione

L109-0342 Screening compound: 5-(4-fluorophenyl)-1-(4-methylphenyl)-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione
L109-0342 Screening compound: 5-(4-fluorophenyl)-1-(4-methylphenyl)-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 L109-0342
5-(4-fluorophenyl)-1-(4-methylphenyl)-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

L109-0342

Molecular Formula

C17H13FN4O2 (C17 H13 FN4 O2)

Compound Name

5-(4-fluorophenyl)-1-(4-methylphenyl)-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione

IUPAC name

5-(4-fluorophenyl)-1-(4-methylphenyl)-1H3aH4H5H6H6aH-pyrrolo[34-d][123]triazole-46-dione

SMILES

Cc(cc1)ccc1N(C1C(N2c(cc3)ccc3F)=O)N=NC1C2=O

InChI

InChI=1S/C17H13FN4O2/c1-10-2-6-13(7-3-10)22-15-14(19-20-22)16(23)21(17(15)24)12-8-4-11(18)5-9-12/h2-9,14-15H,1H3

InChI Key

LFRXYIPLQJNZBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15118738

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.423

Distribution Coefficient, logD

2.423

Water Solubility, LogSw

-2.51

Polar Surface Area

55.953

Acid Dissociation Constant (pKa)

10.72

Base Dissociation Constant (pKb)

-1.46

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

17.60

L109-0342 in Drug Discovery

Included in Screening Libraries

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with L109-0342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L109-0342?
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What is the minimum amount of L109-0342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L109-0342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L109-0342
  • 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 L109-0342 available by request