L109-0728 Screening compound: 5-(3,5-dimethylphenyl)-1-[3-(trifluoromethyl)phenyl]-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione

L109-0728 Screening compound: 5-(3,5-dimethylphenyl)-1-[3-(trifluoromethyl)phenyl]-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione
L109-0728 Screening compound: 5-(3,5-dimethylphenyl)-1-[3-(trifluoromethyl)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 L109-0728
5-(3,5-dimethylphenyl)-1-[3-(trifluoromethyl)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

L109-0728

Molecular Formula

C19H15F3N4O2 (C19 H15 F3 N4 O2)

Compound Name

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

IUPAC name

5-(35-dimethylphenyl)-1-[3-(trifluoromethyl)phenyl]-1H3aH4H5H6H6aH-pyrrolo[34-d][123]triazole-46-dione

SMILES

Cc1cc(N(C(C2N(c3cccc(C(F)(F)F)c3)N=NC22)=O)C2=O)cc(C)c1

InChI

InChI=1S/C19H15F3N4O2/c1-10-6-11(2)8-14(7-10)25-17(27)15-16(18(25)28)26(24-23-15)13-5-3-4-12(9-13)19(20,21)22/h3-9,15-16H,1-2H3

InChI Key

NDXJMMADIJLPDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15118774

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.832

Distribution Coefficient, logD

3.832

Water Solubility, LogSw

-4.05

Polar Surface Area

55.953

Acid Dissociation Constant (pKa)

10.72

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.30

L109-0728 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Cancer
Targets:
  • Proteases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with L109-0728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L109-0728?
Check Price and Availability of L109-0728, 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 L109-0728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L109-0728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L109-0728
  • 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 L109-0728 available by request