L109-0093 Screening compound: 1-(3-chloro-4-fluorophenyl)-5-(4-ethylphenyl)-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione

L109-0093 Screening compound: 1-(3-chloro-4-fluorophenyl)-5-(4-ethylphenyl)-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione
L109-0093 Screening compound: 1-(3-chloro-4-fluorophenyl)-5-(4-ethylphenyl)-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 L109-0093
1-(3-chloro-4-fluorophenyl)-5-(4-ethylphenyl)-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

L109-0093

Molecular Formula

C18H14ClFN4O2 (C18 H14 ClFN4 O2)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1N(C(C1N(c(cc2)cc(Cl)c2F)N=NC11)=O)C1=O

InChI

InChI=1S/C18H14ClFN4O2/c1-2-10-3-5-11(6-4-10)23-17(25)15-16(18(23)26)24(22-21-15)12-7-8-14(20)13(19)9-12/h3-9,15-16H,2H2,1H3

InChI Key

SVLZSRCPZWECJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11998274

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.79

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

3.466

Distribution Coefficient, logD

3.465

Water Solubility, LogSw

-3.66

Polar Surface Area

55.953

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

-1.98

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.20

L109-0093 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with L109-0093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L109-0093?
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What is the minimum amount of L109-0093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L109-0093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L109-0093
  • 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 L109-0093 available by request