G513-0222 Screening compound: N-[1-(4-fluorobenzenesulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]benzamide

G513-0222 Screening compound: N-[1-(4-fluorobenzenesulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]benzamide
G513-0222 Screening compound: N-[1-(4-fluorobenzenesulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G513-0222
N-[1-(4-fluorobenzenesulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]benzamide

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

G513-0222

Molecular Formula

C22H19FN2O3S (C22 H19 FN2 O3 S)

Compound Name

N-[1-(4-fluorobenzenesulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]benzamide

IUPAC name

N-[1-(4-fluorobenzenesulfonyl)-1234-tetrahydroquinolin-7-yl]benzamide

SMILES

O=C(c1ccccc1)Nc1cc(N(CCC2)S(c(cc3)ccc3F)(=O)=O)c2cc1

InChI

InChI=1S/C22H19FN2O3S/c23-18-9-12-20(13-10-18)29(27,28)25-14-4-7-16-8-11-19(15-21(16)25)24-22(26)17-5-2-1-3-6-17/h1-3,5-6,8-13,15H,4,7,14H2,(H,24,26)

InChI Key

JMRFAJWGUSENIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08008589

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.027

Distribution Coefficient, logD

4.027

Water Solubility, LogSw

-4.15

Polar Surface Area

54.482

Acid Dissociation Constant (pKa)

10.89

Base Dissociation Constant (pKb)

-1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

G513-0222 in Drug Discovery

Included in Screening Libraries

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G513-0222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G513-0222?
Check Price and Availability of G513-0222, 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 G513-0222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G513-0222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G513-0222
  • 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 G513-0222 available by request