E143-0178 Screening compound: 4-(2-CHLOROBENZYL)-1-(3,4-DIFLUOROPHENYL)[1,2,4]TRIAZOLO[4,3-A]QUINAZOLIN-5(4H)-ONE

E143-0178 Screening compound: 4-(2-CHLOROBENZYL)-1-(3,4-DIFLUOROPHENYL)[1,2,4]TRIAZOLO[4,3-A]QUINAZOLIN-5(4H)-ONE
E143-0178 Screening compound: 4-(2-CHLOROBENZYL)-1-(3,4-DIFLUOROPHENYL)[1,2,4]TRIAZOLO[4,3-A]QUINAZOLIN-5(4H)-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound E143-0178
4-(2-CHLOROBENZYL)-1-(3,4-DIFLUOROPHENYL)[1,2,4]TRIAZOLO[4,3-A]QUINAZOLIN-5(4H)-ONE

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

E143-0178

Molecular Formula

C22H13ClF2N4O (C22 H13 ClF2 N4 O)

Compound Name

4-(2-CHLOROBENZYL)-1-(3,4-DIFLUOROPHENYL)[1,2,4]TRIAZOLO[4,3-A]QUINAZOLIN-5(4H)-ONE

IUPAC name

4-[(2-chlorophenyl)methyl]-1-(34-difluorophenyl)-4H5H-[124]triazolo[43-a]quinazolin-5-one

SMILES

O=C1N(Cc(cccc2)c2Cl)c2nnc(-c(cc3)cc(F)c3F)n2-c2c1cccc2

InChI

InChI=1S/C22H13ClF2N4O/c23-16-7-3-1-5-14(16)12-28-21(30)15-6-2-4-8-19(15)29-20(26-27-22(28)29)13-9-10-17(24)18(25)11-13/h1-11H,12H2

InChI Key

IUUOOWVIJSMGEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14842220

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.82

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.989

Distribution Coefficient, logD

4.989

Water Solubility, LogSw

-5.03

Polar Surface Area

38.730

Acid Dissociation Constant (pKa)

21.41

Base Dissociation Constant (pKb)

-3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.55

E143-0178 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E143-0178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E143-0178?
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What is the minimum amount of E143-0178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E143-0178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E143-0178
  • 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 E143-0178 available by request