G424-0023 Screening compound: 8-{[4-(2-chloro-6-fluorobenzoyl)piperazino]sulfonyl}-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one

G424-0023 Screening compound: 8-{[4-(2-chloro-6-fluorobenzoyl)piperazino]sulfonyl}-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one
G424-0023 Screening compound: 8-{[4-(2-chloro-6-fluorobenzoyl)piperazino]sulfonyl}-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G424-0023
8-{[4-(2-chloro-6-fluorobenzoyl)piperazino]sulfonyl}-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one

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

G424-0023

Molecular Formula

C22H21ClFN3O4S (C22 H21 ClFN3 O4 S)

Compound Name

8-{[4-(2-chloro-6-fluorobenzoyl)piperazino]sulfonyl}-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one

IUPAC name

6-{[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]sulfonyl}-1-azatricyclo[6.3.1.0^{412}]dodeca-4(12)57-trien-11-one

SMILES

O=C(c(c(F)ccc1)c1Cl)N(CC1)CCN1S(c(cc1CC2)cc(CC3)c1N2C3=O)(=O)=O

InChI

InChI=1S/C22H21ClFN3O4S/c23-17-2-1-3-18(24)20(17)22(29)25-8-10-26(11-9-25)32(30,31)16-12-14-4-5-19(28)27-7-6-15(13-16)21(14)27/h1-3,12-13H,4-11H2

InChI Key

NOIYPEUWYGKKJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09235535

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.94

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.621

Distribution Coefficient, logD

2.621

Water Solubility, LogSw

-3.56

Polar Surface Area

66.009

Acid Dissociation Constant (pKa)

21.33

Base Dissociation Constant (pKb)

-4.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

G424-0023 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with G424-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G424-0023?
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What is the minimum amount of G424-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G424-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G424-0023
  • 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 G424-0023 available by request