C498-0393 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-1-methyl-4-oxo-1H,4H,5H-pyrrolo[3,2-c]quinoline-2-carboxamide

C498-0393 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-1-methyl-4-oxo-1H,4H,5H-pyrrolo[3,2-c]quinoline-2-carboxamide
C498-0393 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-1-methyl-4-oxo-1H,4H,5H-pyrrolo[3,2-c]quinoline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C498-0393
N-[2-(3,4-diethoxyphenyl)ethyl]-1-methyl-4-oxo-1H,4H,5H-pyrrolo[3,2-c]quinoline-2-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

C498-0393

Molecular Formula

C25H27N3O4 (C25 H27 N3 O4)

Compound Name

N-[2-(3,4-diethoxyphenyl)ethyl]-1-methyl-4-oxo-1H,4H,5H-pyrrolo[3,2-c]quinoline-2-carboxamide

IUPAC name

N-[2-(34-diethoxyphenyl)ethyl]-1-methyl-4-oxo-1H4H5H-pyrrolo[32-c]quinoline-2-carboxamide

SMILES

CCOc(ccc(CCNC(c1cc(C(Nc2c-3cccc2)=O)c3n1C)=O)c1)c1OCC

InChI

InChI=1S/C25H27N3O4/c1-4-31-21-11-10-16(14-22(21)32-5-2)12-13-26-25(30)20-15-18-23(28(20)3)17-8-6-7-9-19(17)27-24(18)29/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,26,30)(H,27,29)

InChI Key

AZVVLSODVAVYRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14762023

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.698

Distribution Coefficient, logD

2.698

Water Solubility, LogSw

-3.30

Polar Surface Area

65.193

Acid Dissociation Constant (pKa)

12.92

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

C498-0393 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C498-0393 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C498-0393?
Check Price and Availability of C498-0393, 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 C498-0393 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C498-0393
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C498-0393
  • 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 C498-0393 available by request