G856-5528 Screening compound: methyl 2-{[(4-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl)sulfonyl]amino}benzoate

G856-5528 Screening compound: methyl 2-{[(4-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl)sulfonyl]amino}benzoate
G856-5528 Screening compound: methyl 2-{[(4-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl)sulfonyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-5528
methyl 2-{[(4-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl)sulfonyl]amino}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

G856-5528

Molecular Formula

C19H18N2O5S (C19 H18 N2 O5 S)

Compound Name

methyl 2-{[(4-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl)sulfonyl]amino}benzoate

IUPAC name

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

SMILES

COC(c(cccc1)c1NS(c(cc1CC2)cc(CC3)c1N2C3=O)(=O)=O)=O

InChI

InChI=1S/C19H18N2O5S/c1-26-19(23)15-4-2-3-5-16(15)20-27(24,25)14-10-12-6-7-17(22)21-9-8-13(11-14)18(12)21/h2-5,10-11,20H,6-9H2,1H3

InChI Key

QYYQKTYWEHYSBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07649307

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.668

Distribution Coefficient, logD

1.031

Water Solubility, LogSw

-3.36

Polar Surface Area

78.967

Acid Dissociation Constant (pKa)

5.77

Base Dissociation Constant (pKb)

-4.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

G856-5528 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G856-5528 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-5528?
Check Price and Availability of G856-5528, 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 G856-5528 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-5528
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-5528
  • 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 G856-5528 available by request