C498-0441 Screening compound: N-[(4-ethylphenyl)methyl]-1-methyl-4-oxo-1H,4H,5H-pyrrolo[3,2-c]quinoline-2-carboxamide

C498-0441 Screening compound: N-[(4-ethylphenyl)methyl]-1-methyl-4-oxo-1H,4H,5H-pyrrolo[3,2-c]quinoline-2-carboxamide
C498-0441 Screening compound: N-[(4-ethylphenyl)methyl]-1-methyl-4-oxo-1H,4H,5H-pyrrolo[3,2-c]quinoline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C498-0441
N-[(4-ethylphenyl)methyl]-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

C498-0441

Molecular Formula

C22H21N3O2 (C22 H21 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

CCc1ccc(CNC(c2cc(C(Nc3c-4cccc3)=O)c4n2C)=O)cc1

InChI

InChI=1S/C22H21N3O2/c1-3-14-8-10-15(11-9-14)13-23-22(27)19-12-17-20(25(19)2)16-6-4-5-7-18(16)24-21(17)26/h4-12H,3,13H2,1-2H3,(H,23,27)(H,24,26)

InChI Key

JOZQLPJESFCQKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14762045

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.687

Distribution Coefficient, logD

3.687

Water Solubility, LogSw

-3.94

Polar Surface Area

50.931

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

-1.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

C498-0441 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with C498-0441 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C498-0441?
Check Price and Availability of C498-0441, 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 C498-0441 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C498-0441
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C498-0441
  • 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 C498-0441 available by request