E543-0228 Screening compound: 8-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3-(3-methylphenyl)-4H,5H-[1,2,3]triazolo[1,5-a]quinazolin-5-one

E543-0228 Screening compound: 8-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3-(3-methylphenyl)-4H,5H-[1,2,3]triazolo[1,5-a]quinazolin-5-one
E543-0228 Screening compound: 8-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3-(3-methylphenyl)-4H,5H-[1,2,3]triazolo[1,5-a]quinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E543-0228
8-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3-(3-methylphenyl)-4H,5H-[1,2,3]triazolo[1,5-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

E543-0228

Molecular Formula

C29H28N6O2 (C29 H28 N6 O2)

Compound Name

8-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3-(3-methylphenyl)-4H,5H-[1,2,3]triazolo[1,5-a]quinazolin-5-one

IUPAC name

8-[4-(25-dimethylphenyl)piperazine-1-carbonyl]-3-(3-methylphenyl)-4H5H-[123]triazolo[15-a]quinazolin-5-one

SMILES

Cc1cccc(-c2c(NC(c(cc3)c-4cc3C(N(CC3)CCN3c3c(C)ccc(C)c3)=O)=O)n4nn2)c1

InChI

InChI=1S/C29H28N6O2/c1-18-5-4-6-21(15-18)26-27-30-28(36)23-10-9-22(17-25(23)35(27)32-31-26)29(37)34-13-11-33(12-14-34)24-16-19(2)7-8-20(24)3/h4-10,15-17H,11-14H2,1-3H3,(H,30,36)

InChI Key

BVKHOLNKDVCOBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27600099

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.567

Distribution Coefficient, logD

4.567

Water Solubility, LogSw

-4.24

Polar Surface Area

69.838

Acid Dissociation Constant (pKa)

11.80

Base Dissociation Constant (pKb)

4.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

E543-0228 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anticancer Library (62698 compounds)

Antiviral HBV Library (10007 compounds)

Protein-Protein Interaction Library (218420 compounds)

Akt-Targeted Library (14764 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E543-0228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E543-0228?
Check Price and Availability of E543-0228, 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 E543-0228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E543-0228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E543-0228
  • 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 E543-0228 available by request