L109-0285 Screening compound: 1-(2,4-dimethylphenyl)-5-(3-fluoro-4-methylphenyl)-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione

L109-0285 Screening compound: 1-(2,4-dimethylphenyl)-5-(3-fluoro-4-methylphenyl)-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione
L109-0285 Screening compound: 1-(2,4-dimethylphenyl)-5-(3-fluoro-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 L109-0285
1-(2,4-dimethylphenyl)-5-(3-fluoro-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

L109-0285

Molecular Formula

C19H17FN4O2 (C19 H17 FN4 O2)

Compound Name

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

IUPAC name

1-(24-dimethylphenyl)-5-(3-fluoro-4-methylphenyl)-1H3aH4H5H6H6aH-pyrrolo[34-d][123]triazole-46-dione

SMILES

Cc(cc1)cc(C)c1N(C1C(N2c3cc(F)c(C)cc3)=O)N=NC1C2=O

InChI

InChI=1S/C19H17FN4O2/c1-10-4-7-15(12(3)8-10)24-17-16(21-22-24)18(25)23(19(17)26)13-6-5-11(2)14(20)9-13/h4-9,16-17H,1-3H3

InChI Key

WCYZXIZBFPOVLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15118721

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.37

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

3.706

Distribution Coefficient, logD

3.706

Water Solubility, LogSw

-4.00

Polar Surface Area

55.652

Acid Dissociation Constant (pKa)

10.33

Base Dissociation Constant (pKb)

-0.95

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.30

L109-0285 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with L109-0285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L109-0285?
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What is the minimum amount of L109-0285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L109-0285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L109-0285
  • 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 L109-0285 available by request