E524-1239 Screening compound: 5-(4-oxo-4-{4-[3-(trifluoromethyl)phenyl]piperazino}butyl)pyrido[2,3-e]pyrrolo[1,2-a]pyrazin-6(5H)-one

E524-1239 Screening compound: 5-(4-oxo-4-{4-[3-(trifluoromethyl)phenyl]piperazino}butyl)pyrido[2,3-e]pyrrolo[1,2-a]pyrazin-6(5H)-one
E524-1239 Screening compound: 5-(4-oxo-4-{4-[3-(trifluoromethyl)phenyl]piperazino}butyl)pyrido[2,3-e]pyrrolo[1,2-a]pyrazin-6(5H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E524-1239
5-(4-oxo-4-{4-[3-(trifluoromethyl)phenyl]piperazino}butyl)pyrido[2,3-e]pyrrolo[1,2-a]pyrazin-6(5H)-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

E524-1239

Molecular Formula

C25H24F3N5O2 (C25 H24 F3 N5 O2)

Compound Name

5-(4-oxo-4-{4-[3-(trifluoromethyl)phenyl]piperazino}butyl)pyrido[2,3-e]pyrrolo[1,2-a]pyrazin-6(5H)-one

IUPAC name

8-(4-oxo-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}butyl)-2810-triazatricyclo[7.4.0.0^{26}]trideca-1(13)35911-pentaen-7-one

SMILES

O=C(CCCN(C1=O)c2ncccc2-n2c1ccc2)N(CC1)CCN1c1cccc(C(F)(F)F)c1

InChI

InChI=1S/C25H24F3N5O2/c26-25(27,28)18-5-1-6-19(17-18)30-13-15-31(16-14-30)22(34)9-4-12-33-23-20(7-2-10-29-23)32-11-3-8-21(32)24(33)35/h1-3,5-8,10-11,17H,4,9,12-16H2

InChI Key

BVIAGACKBWTGAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14894978

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.352

Distribution Coefficient, logD

3.352

Water Solubility, LogSw

-3.70

Polar Surface Area

46.928

Acid Dissociation Constant (pKa)

24.06

Base Dissociation Constant (pKb)

2.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

E524-1239 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E524-1239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E524-1239?
Check Price and Availability of E524-1239, 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 E524-1239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E524-1239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E524-1239
  • 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 E524-1239 available by request