L109-0513 Screening compound: 1-(3-chloro-4-methylphenyl)-5-(2,3-dihydro-1H-inden-5-yl)-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione

L109-0513 Screening compound: 1-(3-chloro-4-methylphenyl)-5-(2,3-dihydro-1H-inden-5-yl)-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione
L109-0513 Screening compound: 1-(3-chloro-4-methylphenyl)-5-(2,3-dihydro-1H-inden-5-yl)-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 L109-0513
1-(3-chloro-4-methylphenyl)-5-(2,3-dihydro-1H-inden-5-yl)-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

L109-0513

Molecular Formula

C20H17ClN4O2 (C20 H17 ClN4 O2)

Compound Name

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

IUPAC name

1-(3-chloro-4-methylphenyl)-5-(23-dihydro-1H-inden-5-yl)-1H3aH4H5H6H6aH-pyrrolo[34-d][123]triazole-46-dione

SMILES

Cc(ccc(N(C1C(N2c3cc(CCC4)c4cc3)=O)N=NC1C2=O)c1)c1Cl

InChI

InChI=1S/C20H17ClN4O2/c1-11-5-7-15(10-16(11)21)25-18-17(22-23-25)19(26)24(20(18)27)14-8-6-12-3-2-4-13(12)9-14/h5-10,17-18H,2-4H2,1H3

InChI Key

NSTJIJWDJGNOQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15118755

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.83

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

4.022

Distribution Coefficient, logD

4.022

Water Solubility, LogSw

-4.29

Polar Surface Area

56.240

Acid Dissociation Constant (pKa)

10.48

Base Dissociation Constant (pKb)

-1.73

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.00

L109-0513 in Drug Discovery

Included in Screening Libraries

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 L109-0513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L109-0513?
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What is the minimum amount of L109-0513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L109-0513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L109-0513
  • 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 L109-0513 available by request