6070-3191 Screening compound: 2-(4-ethylphenyl)-2-oxoethyl 3-{4-methyl-1,3-dioxo-1H,2H,3H-pyrrolo[3,4-c]quinolin-2-yl}benzoate

6070-3191 Screening compound: 2-(4-ethylphenyl)-2-oxoethyl 3-{4-methyl-1,3-dioxo-1H,2H,3H-pyrrolo[3,4-c]quinolin-2-yl}benzoate
6070-3191 Screening compound: 2-(4-ethylphenyl)-2-oxoethyl 3-{4-methyl-1,3-dioxo-1H,2H,3H-pyrrolo[3,4-c]quinolin-2-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6070-3191
2-(4-ethylphenyl)-2-oxoethyl 3-{4-methyl-1,3-dioxo-1H,2H,3H-pyrrolo[3,4-c]quinolin-2-yl}benzoate

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

6070-3191

Molecular Formula

C29H22N2O5 (C29 H22 N2 O5)

Compound Name

2-(4-ethylphenyl)-2-oxoethyl 3-{4-methyl-1,3-dioxo-1H,2H,3H-pyrrolo[3,4-c]quinolin-2-yl}benzoate

IUPAC name

2-(4-ethylphenyl)-2-oxoethyl 3-{4-methyl-13-dioxo-1H2H3H-pyrrolo[34-c]quinolin-2-yl}benzoate

SMILES

CCc(cc1)ccc1C(COC(c1cccc(N(C(c2c3c4ccccc4nc2C)=O)C3=O)c1)=O)=O

InChI

InChI=1S/C29H22N2O5/c1-3-18-11-13-19(14-12-18)24(32)16-36-29(35)20-7-6-8-21(15-20)31-27(33)25-17(2)30-23-10-5-4-9-22(23)26(25)28(31)34/h4-15H,3,16H2,1-2H3

InChI Key

KTIPVKUYIZLDGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03615087

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.540

Distribution Coefficient, logD

4.540

Water Solubility, LogSw

-4.61

Polar Surface Area

71.892

Acid Dissociation Constant (pKa)

22.85

Base Dissociation Constant (pKb)

-3.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.80

6070-3191 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

Antiviral Annotated Library (21441 compounds)

CORONAVIRUS Library (20774 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6070-3191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6070-3191?
Check Price and Availability of 6070-3191, 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 6070-3191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6070-3191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6070-3191
  • 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 6070-3191 available by request