G513-0657 Screening compound: N-[1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]-3,4-diethoxybenzamide

G513-0657 Screening compound: N-[1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]-3,4-diethoxybenzamide
G513-0657 Screening compound: N-[1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]-3,4-diethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G513-0657
N-[1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]-3,4-diethoxybenzamide

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

G513-0657

Molecular Formula

C22H28N2O5S (C22 H28 N2 O5 S)

Compound Name

N-[1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]-3,4-diethoxybenzamide

IUPAC name

N-[1-(ethanesulfonyl)-1234-tetrahydroquinolin-7-yl]-34-diethoxybenzamide

SMILES

CCOc(ccc(C(Nc1cc(N(CCC2)S(CC)(=O)=O)c2cc1)=O)c1)c1OCC

InChI

InChI=1S/C22H28N2O5S/c1-4-28-20-12-10-17(14-21(20)29-5-2)22(25)23-18-11-9-16-8-7-13-24(19(16)15-18)30(26,27)6-3/h9-12,14-15H,4-8,13H2,1-3H3,(H,23,25)

InChI Key

SMAPVYSYFLYCCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09236706

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.902

Distribution Coefficient, logD

2.902

Water Solubility, LogSw

-3.64

Polar Surface Area

69.068

Acid Dissociation Constant (pKa)

11.54

Base Dissociation Constant (pKb)

-2.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

G513-0657 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G513-0657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G513-0657?
Check Price and Availability of G513-0657, 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 G513-0657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G513-0657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G513-0657
  • 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 G513-0657 available by request