E524-1613 Screening compound: 4-{[6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl]methyl}-N~1~-propylbenzamide

E524-1613 Screening compound: 4-{[6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl]methyl}-N~1~-propylbenzamide
E524-1613 Screening compound: 4-{[6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl]methyl}-N~1~-propylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E524-1613
4-{[6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl]methyl}-N~1~-propylbenzamide

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

E524-1613

Molecular Formula

C21H20N4O2 (C21 H20 N4 O2)

Compound Name

4-{[6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl]methyl}-N~1~-propylbenzamide

IUPAC name

4-({7-oxo-2810-triazatricyclo[7.4.0.0^{26}]trideca-1(13)35911-pentaen-8-yl}methyl)-N-propylbenzamide

SMILES

CCCNC(c1ccc(CN(C2=O)c3ncccc3-n3c2ccc3)cc1)=O

InChI

InChI=1S/C21H20N4O2/c1-2-11-23-20(26)16-9-7-15(8-10-16)14-25-19-17(5-3-12-22-19)24-13-4-6-18(24)21(25)27/h3-10,12-13H,2,11,14H2,1H3,(H,23,26)

InChI Key

XDCOQHJKBLQJEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14895135

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.044

Distribution Coefficient, logD

3.044

Water Solubility, LogSw

-3.25

Polar Surface Area

51.823

Acid Dissociation Constant (pKa)

14.11

Base Dissociation Constant (pKb)

2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

E524-1613 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E524-1613 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E524-1613?
Check Price and Availability of E524-1613, 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 E524-1613 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E524-1613
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E524-1613
  • 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 E524-1613 available by request