E543-0030 Screening compound: 3-phenyl-8-[4-(pyridin-2-yl)piperazine-1-carbonyl]-4H,5H-[1,2,3]triazolo[1,5-a]quinazolin-5-one

E543-0030 Screening compound: 3-phenyl-8-[4-(pyridin-2-yl)piperazine-1-carbonyl]-4H,5H-[1,2,3]triazolo[1,5-a]quinazolin-5-one
E543-0030 Screening compound: 3-phenyl-8-[4-(pyridin-2-yl)piperazine-1-carbonyl]-4H,5H-[1,2,3]triazolo[1,5-a]quinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E543-0030
3-phenyl-8-[4-(pyridin-2-yl)piperazine-1-carbonyl]-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

E543-0030

Molecular Formula

C25H21N7O2 (C25 H21 N7 O2)

Compound Name

3-phenyl-8-[4-(pyridin-2-yl)piperazine-1-carbonyl]-4H,5H-[1,2,3]triazolo[1,5-a]quinazolin-5-one

IUPAC name

3-phenyl-8-[4-(pyridin-2-yl)piperazine-1-carbonyl]-4H5H-[123]triazolo[15-a]quinazolin-5-one

SMILES

O=C(c(cc1)cc(-n2nnc(-c3ccccc3)c2N2)c1C2=O)N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C25H21N7O2/c33-24-19-10-9-18(25(34)31-14-12-30(13-15-31)21-8-4-5-11-26-21)16-20(19)32-23(27-24)22(28-29-32)17-6-2-1-3-7-17/h1-11,16H,12-15H2,(H,27,33)

InChI Key

WCJWMGAUEVJDAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11998470

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.514

Distribution Coefficient, logD

2.505

Water Solubility, LogSw

-3.33

Polar Surface Area

78.650

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

E543-0030 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Epigenetics Focused Set (26518 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E543-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E543-0030?
Check Price and Availability of E543-0030, 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 E543-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E543-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E543-0030
  • 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 E543-0030 available by request