L109-0259 Screening compound: 5-(3-chloro-4-methylphenyl)-1-(3-methoxyphenyl)-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione

L109-0259 Screening compound: 5-(3-chloro-4-methylphenyl)-1-(3-methoxyphenyl)-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione
L109-0259 Screening compound: 5-(3-chloro-4-methylphenyl)-1-(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 L109-0259
5-(3-chloro-4-methylphenyl)-1-(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

L109-0259

Molecular Formula

C18H15ClN4O3 (C18 H15 ClN4 O3)

Compound Name

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

IUPAC name

5-(3-chloro-4-methylphenyl)-1-(3-methoxyphenyl)-1H3aH4H5H6H6aH-pyrrolo[34-d][123]triazole-46-dione

SMILES

Cc(ccc(N(C(C1N(c2cc(OC)ccc2)N=NC11)=O)C1=O)c1)c1Cl

InChI

InChI=1S/C18H15ClN4O3/c1-10-6-7-11(9-14(10)19)22-17(24)15-16(18(22)25)23(21-20-15)12-4-3-5-13(8-12)26-2/h3-9,15-16H,1-2H3

InChI Key

ZRYINFCPTXLLGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11998091

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.79

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

3.359

Distribution Coefficient, logD

3.358

Water Solubility, LogSw

-3.49

Polar Surface Area

63.497

Acid Dissociation Constant (pKa)

10.33

Base Dissociation Constant (pKb)

-1.46

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.20

L109-0259 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L109-0259 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L109-0259?
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What is the minimum amount of L109-0259 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L109-0259
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L109-0259
  • 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 L109-0259 available by request