G424-0171 Screening compound: 8-({4-[(3-fluorophenyl)sulfonyl]piperazino}sulfonyl)-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one

G424-0171 Screening compound: 8-({4-[(3-fluorophenyl)sulfonyl]piperazino}sulfonyl)-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one
G424-0171 Screening compound: 8-({4-[(3-fluorophenyl)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 G424-0171
8-({4-[(3-fluorophenyl)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

G424-0171

Molecular Formula

C21H22FN3O5S2 (C21 H22 FN3 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CC1)N(CCc2c3)c2c1cc3S(N(CC1)CCN1S(c1cc(F)ccc1)(=O)=O)(=O)=O

InChI

InChI=1S/C21H22FN3O5S2/c22-17-2-1-3-18(14-17)31(27,28)23-8-10-24(11-9-23)32(29,30)19-12-15-4-5-20(26)25-7-6-16(13-19)21(15)25/h1-3,12-14H,4-11H2

InChI Key

MCKUNZZFPLJVPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09235567

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.55

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.379

Distribution Coefficient, logD

2.379

Water Solubility, LogSw

-2.66

Polar Surface Area

81.071

Acid Dissociation Constant (pKa)

21.33

Base Dissociation Constant (pKb)

-4.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

G424-0171 in Drug Discovery

Included in Screening Libraries

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 G424-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G424-0171?
Check Price and Availability of G424-0171, 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 G424-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G424-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G424-0171
  • 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 G424-0171 available by request