G514-0453 Screening compound: N-[1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]-4-fluoro-3-methylbenzene-1-sulfonamide

G514-0453 Screening compound: N-[1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]-4-fluoro-3-methylbenzene-1-sulfonamide
G514-0453 Screening compound: N-[1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]-4-fluoro-3-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G514-0453
N-[1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]-4-fluoro-3-methylbenzene-1-sulfonamide

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

G514-0453

Molecular Formula

C18H21FN2O4S2 (C18 H21 FN2 O4 S2)

Compound Name

N-[1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]-4-fluoro-3-methylbenzene-1-sulfonamide

IUPAC name

N-[1-(ethanesulfonyl)-1234-tetrahydroquinolin-7-yl]-4-fluoro-3-methylbenzene-1-sulfonamide

SMILES

CCS(N(CCC1)c2c1ccc(NS(c(cc1)cc(C)c1F)(=O)=O)c2)(=O)=O

InChI

InChI=1S/C18H21FN2O4S2/c1-3-26(22,23)21-10-4-5-14-6-7-15(12-18(14)21)20-27(24,25)16-8-9-17(19)13(2)11-16/h6-9,11-12,20H,3-5,10H2,1-2H3

InChI Key

TTZDXBAHZVPENY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09236839

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.098

Distribution Coefficient, logD

2.955

Water Solubility, LogSw

-3.48

Polar Surface Area

72.206

Acid Dissociation Constant (pKa)

7.81

Base Dissociation Constant (pKb)

-7.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G514-0453 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with G514-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G514-0453?
Check Price and Availability of G514-0453, 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 G514-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G514-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G514-0453
  • 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 G514-0453 available by request