G424-0168 Screening compound: 8-({4-[(4-methoxyphenyl)sulfonyl]piperazino}sulfonyl)-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one

G424-0168 Screening compound: 8-({4-[(4-methoxyphenyl)sulfonyl]piperazino}sulfonyl)-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one
G424-0168 Screening compound: 8-({4-[(4-methoxyphenyl)sulfonyl]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 G424-0168
8-({4-[(4-methoxyphenyl)sulfonyl]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

G424-0168

Molecular Formula

C22H25N3O6S2 (C22 H25 N3 O6 S2)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1S(N(CC1)CCN1S(c(cc1CC2)cc(CC3)c1N2C3=O)(=O)=O)(=O)=O

InChI

InChI=1S/C22H25N3O6S2/c1-31-18-3-5-19(6-4-18)32(27,28)23-10-12-24(13-11-23)33(29,30)20-14-16-2-7-21(26)25-9-8-17(15-20)22(16)25/h3-6,14-15H,2,7-13H2,1H3

InChI Key

RVOCMHBEDUWMHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09235566

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.59

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.272

Distribution Coefficient, logD

2.272

Water Solubility, LogSw

-2.76

Polar Surface Area

88.615

Acid Dissociation Constant (pKa)

21.33

Base Dissociation Constant (pKb)

-4.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

G424-0168 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with G424-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G424-0168?
Check Price and Availability of G424-0168, 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 G424-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G424-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G424-0168
  • 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 G424-0168 available by request