E543-0972 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-5-oxo-3-[3-(trifluoromethyl)phenyl]-4H,5H-[1,2,3]triazolo[1,5-a]quinazoline-8-carboxamide

E543-0972 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-5-oxo-3-[3-(trifluoromethyl)phenyl]-4H,5H-[1,2,3]triazolo[1,5-a]quinazoline-8-carboxamide
E543-0972 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-5-oxo-3-[3-(trifluoromethyl)phenyl]-4H,5H-[1,2,3]triazolo[1,5-a]quinazoline-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E543-0972
N-[2-(cyclohex-1-en-1-yl)ethyl]-5-oxo-3-[3-(trifluoromethyl)phenyl]-4H,5H-[1,2,3]triazolo[1,5-a]quinazoline-8-carboxamide

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

E543-0972

Molecular Formula

C25H22F3N5O2 (C25 H22 F3 N5 O2)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-5-oxo-3-[3-(trifluoromethyl)phenyl]-4H,5H-[1,2,3]triazolo[1,5-a]quinazoline-8-carboxamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-5-oxo-3-[3-(trifluoromethyl)phenyl]-4H5H-[123]triazolo[15-a]quinazoline-8-carboxamide

SMILES

O=C(c(cc1)cc(-n2nnc(-c3cccc(C(F)(F)F)c3)c2N2)c1C2=O)NCCC1=CCCCC1

InChI

InChI=1S/C25H22F3N5O2/c26-25(27,28)18-8-4-7-16(13-18)21-22-30-24(35)19-10-9-17(14-20(19)33(22)32-31-21)23(34)29-12-11-15-5-2-1-3-6-15/h4-5,7-10,13-14H,1-3,6,11-12H2,(H,29,34)(H,30,35)

InChI Key

FVQDFGLHNXUUEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14897782

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.179

Distribution Coefficient, logD

4.179

Water Solubility, LogSw

-4.46

Polar Surface Area

74.677

Acid Dissociation Constant (pKa)

11.80

Base Dissociation Constant (pKb)

-3.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

E543-0972 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-infective Library (19449 compounds)

Anticancer Library (62698 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with E543-0972 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E543-0972?
Check Price and Availability of E543-0972, 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 E543-0972 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E543-0972
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E543-0972
  • 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 E543-0972 available by request