G513-0032 Screening compound: N-[1-(benzenesulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]-2-chloro-6-fluorobenzamide

G513-0032 Screening compound: N-[1-(benzenesulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]-2-chloro-6-fluorobenzamide
G513-0032 Screening compound: N-[1-(benzenesulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]-2-chloro-6-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G513-0032
N-[1-(benzenesulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]-2-chloro-6-fluorobenzamide

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

G513-0032

Molecular Formula

C22H18ClFN2O3S (C22 H18 ClFN2 O3 S)

Compound Name

N-[1-(benzenesulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]-2-chloro-6-fluorobenzamide

IUPAC name

N-[1-(benzenesulfonyl)-1234-tetrahydroquinolin-7-yl]-2-chloro-6-fluorobenzamide

SMILES

O=C(c(c(F)ccc1)c1Cl)Nc1cc(N(CCC2)S(c3ccccc3)(=O)=O)c2cc1

InChI

InChI=1S/C22H18ClFN2O3S/c23-18-9-4-10-19(24)21(18)22(27)25-16-12-11-15-6-5-13-26(20(15)14-16)30(28,29)17-7-2-1-3-8-17/h1-4,7-12,14H,5-6,13H2,(H,25,27)

InChI Key

OXUJYOLGHCXEGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08008421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.91

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

4.502

Distribution Coefficient, logD

4.491

Water Solubility, LogSw

-4.87

Polar Surface Area

54.482

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

-2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

G513-0032 in Drug Discovery

Included in Screening Libraries

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

Human Receptors Annotated Library (5376 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G513-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G513-0032?
Check Price and Availability of G513-0032, 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 G513-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G513-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G513-0032
  • 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 G513-0032 available by request