E143-0237 Screening compound: 1-(4-bromo-2-thienyl)-4-phenethyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one

E143-0237 Screening compound: 1-(4-bromo-2-thienyl)-4-phenethyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
E143-0237 Screening compound: 1-(4-bromo-2-thienyl)-4-phenethyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E143-0237
1-(4-bromo-2-thienyl)-4-phenethyl[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

E143-0237

Molecular Formula

C21H15BrN4OS (C21 H15 BrN4 OS)

Compound Name

1-(4-bromo-2-thienyl)-4-phenethyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one

IUPAC name

1-(4-bromothiophen-2-yl)-4-(2-phenylethyl)-4H5H-[124]triazolo[43-a]quinazolin-5-one

SMILES

O=C1N(CCc2ccccc2)c2nnc(-c3cc(Br)cs3)n2-c2c1cccc2

InChI

InChI=1S/C21H15BrN4OS/c22-15-12-18(28-13-15)19-23-24-21-25(11-10-14-6-2-1-3-7-14)20(27)16-8-4-5-9-17(16)26(19)21/h1-9,12-13H,10-11H2

InChI Key

QLRFPQWNTWUUMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06404579

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.736

Distribution Coefficient, logD

4.736

Water Solubility, LogSw

-4.70

Polar Surface Area

39.727

Acid Dissociation Constant (pKa)

22.07

Base Dissociation Constant (pKb)

-2.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.52

E143-0237 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E143-0237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E143-0237?
Check Price and Availability of E143-0237, 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 E143-0237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E143-0237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E143-0237
  • 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 E143-0237 available by request