E524-1413 Screening compound: N~1~-(3,4-diethoxyphenethyl)-4-[6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl]butanamide

E524-1413 Screening compound: N~1~-(3,4-diethoxyphenethyl)-4-[6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl]butanamide
E524-1413 Screening compound: N~1~-(3,4-diethoxyphenethyl)-4-[6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E524-1413
N~1~-(3,4-diethoxyphenethyl)-4-[6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl]butanamide

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

E524-1413

Molecular Formula

C26H30N4O4 (C26 H30 N4 O4)

Compound Name

N~1~-(3,4-diethoxyphenethyl)-4-[6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl]butanamide

IUPAC name

N-[2-(34-diethoxyphenyl)ethyl]-4-{7-oxo-2810-triazatricyclo[7.4.0.0^{26}]trideca-1(13)35911-pentaen-8-yl}butanamide

SMILES

CCOc(ccc(CCNC(CCCN(C1=O)c2ncccc2-n2c1ccc2)=O)c1)c1OCC

InChI

InChI=1S/C26H30N4O4/c1-3-33-22-12-11-19(18-23(22)34-4-2)13-15-27-24(31)10-7-17-30-25-20(8-5-14-28-25)29-16-6-9-21(29)26(30)32/h5-6,8-9,11-12,14,16,18H,3-4,7,10,13,15,17H2,1-2H3,(H,27,31)

InChI Key

FMWWRISFVRNOQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14895059

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.994

Distribution Coefficient, logD

1.994

Water Solubility, LogSw

-2.56

Polar Surface Area

66.008

Acid Dissociation Constant (pKa)

14.38

Base Dissociation Constant (pKb)

1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

E524-1413 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antimitotic Tubulin Library (17355 compounds)

Antiviral Library (67538 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E524-1413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E524-1413?
Check Price and Availability of E524-1413, 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 E524-1413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E524-1413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E524-1413
  • 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 E524-1413 available by request