G401-0093 Screening compound: N~8~-(2-methoxybenzyl)-4-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline-8-sulfonamide

G401-0093 Screening compound: N~8~-(2-methoxybenzyl)-4-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline-8-sulfonamide
G401-0093 Screening compound: N~8~-(2-methoxybenzyl)-4-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline-8-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G401-0093
N~8~-(2-methoxybenzyl)-4-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

G401-0093

Molecular Formula

C19H20N2O4S (C19 H20 N2 O4 S)

Compound Name

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

IUPAC name

N-[(2-methoxyphenyl)methyl]-11-oxo-1-azatricyclo[6.3.1.0^{412}]dodeca-4(12)57-triene-6-sulfonamide

SMILES

COc1c(CNS(c(cc2CC3)cc(CC4)c2N3C4=O)(=O)=O)cccc1

InChI

InChI=1S/C19H20N2O4S/c1-25-17-5-3-2-4-15(17)12-20-26(23,24)16-10-13-6-7-18(22)21-9-8-14(11-16)19(13)21/h2-5,10-11,20H,6-9,12H2,1H3

InChI Key

HUGUQFOQVOXMAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07715075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.44

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

2.929

Distribution Coefficient, logD

2.928

Water Solubility, LogSw

-3.59

Polar Surface Area

67.230

Acid Dissociation Constant (pKa)

10.51

Base Dissociation Constant (pKb)

-3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

G401-0093 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 compounds)

Selective Target Activity Profiling Library (14702 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
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with G401-0093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G401-0093?
Check Price and Availability of G401-0093, 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 G401-0093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G401-0093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G401-0093
  • 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 G401-0093 available by request