L109-0616 Screening compound: 1-(4-ethoxyphenyl)-5-[3-(methylsulfanyl)phenyl]-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione

L109-0616 Screening compound: 1-(4-ethoxyphenyl)-5-[3-(methylsulfanyl)phenyl]-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione
L109-0616 Screening compound: 1-(4-ethoxyphenyl)-5-[3-(methylsulfanyl)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 L109-0616
1-(4-ethoxyphenyl)-5-[3-(methylsulfanyl)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

L109-0616

Molecular Formula

C19H18N4O3S (C19 H18 N4 O3 S)

Compound Name

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

IUPAC name

1-(4-ethoxyphenyl)-5-[3-(methylsulfanyl)phenyl]-1H3aH4H5H6H6aH-pyrrolo[34-d][123]triazole-46-dione

SMILES

CCOc(cc1)ccc1N(C1C(N2c3cccc(SC)c3)=O)N=NC1C2=O

InChI

InChI=1S/C19H18N4O3S/c1-3-26-14-9-7-12(8-10-14)23-17-16(20-21-23)18(24)22(19(17)25)13-5-4-6-15(11-13)27-2/h4-11,16-17H,3H2,1-2H3

InChI Key

APFHFFGQHPMICI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22590290

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.768

Distribution Coefficient, logD

2.768

Water Solubility, LogSw

-3.15

Polar Surface Area

63.077

Acid Dissociation Constant (pKa)

10.72

Base Dissociation Constant (pKb)

-1.45

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.30

L109-0616 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Adenosine Receptors Targeted Library (19896 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
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
Targets:
  • Proteases
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with L109-0616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L109-0616?
Check Price and Availability of L109-0616, 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 L109-0616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L109-0616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L109-0616
  • 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 L109-0616 available by request