L109-0688 Screening compound: 1-(3,5-dimethylphenyl)-5-(3-methoxyphenyl)-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione

L109-0688 Screening compound: 1-(3,5-dimethylphenyl)-5-(3-methoxyphenyl)-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione
L109-0688 Screening compound: 1-(3,5-dimethylphenyl)-5-(3-methoxyphenyl)-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 L109-0688
1-(3,5-dimethylphenyl)-5-(3-methoxyphenyl)-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

L109-0688

Molecular Formula

C19H18N4O3 (C19 H18 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(N(C2C(N3c4cc(OC)ccc4)=O)N=NC2C3=O)cc(C)c1

InChI

InChI=1S/C19H18N4O3/c1-11-7-12(2)9-14(8-11)23-17-16(20-21-23)18(24)22(19(17)25)13-5-4-6-15(10-13)26-3/h4-10,16-17H,1-3H3

InChI Key

DIHZGIPQQNGOFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11998108

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.098

Distribution Coefficient, logD

3.097

Water Solubility, LogSw

-3.13

Polar Surface Area

63.497

Acid Dissociation Constant (pKa)

10.72

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.30

L109-0688 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 L109-0688 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L109-0688?
Check Price and Availability of L109-0688, 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 L109-0688 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L109-0688
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L109-0688
  • 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 L109-0688 available by request