G856-5598 Screening compound: N~8~-butyl-2-oxo-N~8~-phenyl-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline-8-sulfonamide

G856-5598 Screening compound: N~8~-butyl-2-oxo-N~8~-phenyl-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline-8-sulfonamide
G856-5598 Screening compound: N~8~-butyl-2-oxo-N~8~-phenyl-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline-8-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-5598
N~8~-butyl-2-oxo-N~8~-phenyl-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

G856-5598

Molecular Formula

C21H24N2O3S (C21 H24 N2 O3 S)

Compound Name

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

IUPAC name

N-butyl-2-oxo-N-phenyl-1-azatricyclo[6.3.1.0^{412}]dodeca-468(12)-triene-6-sulfonamide

SMILES

CCCCN(c1ccccc1)S(c(cc1C2)cc(CCC3)c1N3C2=O)(=O)=O

InChI

InChI=1S/C21H24N2O3S/c1-2-3-12-23(18-9-5-4-6-10-18)27(25,26)19-13-16-8-7-11-22-20(24)15-17(14-19)21(16)22/h4-6,9-10,13-14H,2-3,7-8,11-12,15H2,1H3

InChI Key

QXVOOAJZTAAGOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06749659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.587

Distribution Coefficient, logD

3.587

Water Solubility, LogSw

-3.75

Polar Surface Area

49.645

Acid Dissociation Constant (pKa)

11.78

Base Dissociation Constant (pKb)

-2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

G856-5598 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Hsp90-Targeted Library (11355 compounds)

Included in 1.7M Stock Database

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 G856-5598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-5598?
Check Price and Availability of G856-5598, 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 G856-5598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-5598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-5598
  • 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 G856-5598 available by request