E143-0345 Screening compound: 1-(5-chloro-2-hydroxyphenyl)-4-[3-(propan-2-yloxy)propyl]-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

E143-0345 Screening compound: 1-(5-chloro-2-hydroxyphenyl)-4-[3-(propan-2-yloxy)propyl]-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
E143-0345 Screening compound: 1-(5-chloro-2-hydroxyphenyl)-4-[3-(propan-2-yloxy)propyl]-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E143-0345
1-(5-chloro-2-hydroxyphenyl)-4-[3-(propan-2-yloxy)propyl]-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-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

E143-0345

Molecular Formula

C21H21ClN4O3 (C21 H21 ClN4 O3)

Compound Name

1-(5-chloro-2-hydroxyphenyl)-4-[3-(propan-2-yloxy)propyl]-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

IUPAC name

1-(5-chloro-2-hydroxyphenyl)-4-[3-(propan-2-yloxy)propyl]-4H5H-[124]triazolo[43-a]quinazolin-5-one

SMILES

CC(C)OCCCN(c1nnc(-c(cc(cc2)Cl)c2O)n1-c1c2cccc1)C2=O

InChI

InChI=1S/C21H21ClN4O3/c1-13(2)29-11-5-10-25-20(28)15-6-3-4-7-17(15)26-19(23-24-21(25)26)16-12-14(22)8-9-18(16)27/h3-4,6-9,12-13,27H,5,10-11H2,1-2H3

InChI Key

KFPPAUNJDJOYDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14842260

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.897

Distribution Coefficient, logD

3.699

Water Solubility, LogSw

-3.87

Polar Surface Area

62.729

Acid Dissociation Constant (pKa)

7.64

Base Dissociation Constant (pKb)

-2.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

E143-0345 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with E143-0345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E143-0345?
Check Price and Availability of E143-0345, 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 E143-0345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E143-0345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E143-0345
  • 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 E143-0345 available by request