G424-0017 Screening compound: 8-({4-[3-(4-methoxyphenyl)propanoyl]piperazino}sulfonyl)-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one

G424-0017 Screening compound: 8-({4-[3-(4-methoxyphenyl)propanoyl]piperazino}sulfonyl)-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one
G424-0017 Screening compound: 8-({4-[3-(4-methoxyphenyl)propanoyl]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 G424-0017
8-({4-[3-(4-methoxyphenyl)propanoyl]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

G424-0017

Molecular Formula

C25H29N3O5S (C25 H29 N3 O5 S)

Compound Name

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

IUPAC name

6-({4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl}sulfonyl)-1-azatricyclo[6.3.1.0^{412}]dodeca-4(12)57-trien-11-one

SMILES

COc1ccc(CCC(N(CC2)CCN2S(c(cc2CC3)cc(CC4)c2N3C4=O)(=O)=O)=O)cc1

InChI

InChI=1S/C25H29N3O5S/c1-33-21-6-2-18(3-7-21)4-8-23(29)26-12-14-27(15-13-26)34(31,32)22-16-19-5-9-24(30)28-11-10-20(17-22)25(19)28/h2-3,6-7,16-17H,4-5,8-15H2,1H3

InChI Key

PMQQUQHMQRIMHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09235532

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.588

Distribution Coefficient, logD

2.588

Water Solubility, LogSw

-2.98

Polar Surface Area

73.025

Acid Dissociation Constant (pKa)

21.33

Base Dissociation Constant (pKb)

-2.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

G424-0017 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 G424-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G424-0017?
Check Price and Availability of G424-0017, 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 G424-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G424-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G424-0017
  • 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 G424-0017 available by request