G513-0029 Screening compound: N-[1-(benzenesulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]-2,6-difluorobenzamide

G513-0029 Screening compound: N-[1-(benzenesulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]-2,6-difluorobenzamide
G513-0029 Screening compound: N-[1-(benzenesulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]-2,6-difluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G513-0029
N-[1-(benzenesulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]-2,6-difluorobenzamide

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

G513-0029

Molecular Formula

C22H18F2N2O3S (C22 H18 F2 N2 O3 S)

Compound Name

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

IUPAC name

N-[1-(benzenesulfonyl)-1234-tetrahydroquinolin-7-yl]-26-difluorobenzamide

SMILES

O=C(c(c(F)ccc1)c1F)Nc1cc(N(CCC2)S(c3ccccc3)(=O)=O)c2cc1

InChI

InChI=1S/C22H18F2N2O3S/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

SPOKDPLKKXFMIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08008418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.46

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

4.212

Distribution Coefficient, logD

4.202

Water Solubility, LogSw

-4.47

Polar Surface Area

54.482

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

-2.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

G513-0029 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 G513-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G513-0029?
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What is the minimum amount of G513-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G513-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G513-0029
  • 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 G513-0029 available by request