G856-5740 Screening compound: N~8~-(4-methoxybenzyl)-1-methyl-2-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline-8-sulfonamide

G856-5740 Screening compound: N~8~-(4-methoxybenzyl)-1-methyl-2-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline-8-sulfonamide
G856-5740 Screening compound: N~8~-(4-methoxybenzyl)-1-methyl-2-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline-8-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-5740
N~8~-(4-methoxybenzyl)-1-methyl-2-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline-8-sulfonamide

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

G856-5740

Molecular Formula

C20H22N2O4S (C20 H22 N2 O4 S)

Compound Name

N~8~-(4-methoxybenzyl)-1-methyl-2-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline-8-sulfonamide

IUPAC name

N-[(4-methoxyphenyl)methyl]-3-methyl-2-oxo-1-azatricyclo[6.3.1.0^{412}]dodeca-468(12)-triene-6-sulfonamide

SMILES

CC(c1cc(S(NCc(cc2)ccc2OC)(=O)=O)cc2c1N1CCC2)C1=O

InChI

InChI=1S/C20H22N2O4S/c1-13-18-11-17(10-15-4-3-9-22(19(15)18)20(13)23)27(24,25)21-12-14-5-7-16(26-2)8-6-14/h5-8,10-11,13,21H,3-4,9,12H2,1-2H3/t13-/m0/s1

InChI Key

JBFQCXCFBMXXAL-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD07649364

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.860

Distribution Coefficient, logD

2.860

Water Solubility, LogSw

-3.58

Polar Surface Area

66.866

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

-3.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

G856-5740 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Hsp90-Targeted Library (11355 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
  • Pool
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with G856-5740 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-5740?
Check Price and Availability of G856-5740, 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 G856-5740 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-5740
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-5740
  • 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 G856-5740 available by request