G513-0325 Screening compound: N-(1-methanesulfonyl-1,2,3,4-tetrahydroquinolin-7-yl)-2,3-dimethoxybenzamide

G513-0325 Screening compound: N-(1-methanesulfonyl-1,2,3,4-tetrahydroquinolin-7-yl)-2,3-dimethoxybenzamide
G513-0325 Screening compound: N-(1-methanesulfonyl-1,2,3,4-tetrahydroquinolin-7-yl)-2,3-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G513-0325
N-(1-methanesulfonyl-1,2,3,4-tetrahydroquinolin-7-yl)-2,3-dimethoxybenzamide

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

G513-0325

Molecular Formula

C19H22N2O5S (C19 H22 N2 O5 S)

Compound Name

N-(1-methanesulfonyl-1,2,3,4-tetrahydroquinolin-7-yl)-2,3-dimethoxybenzamide

IUPAC name

N-(1-methanesulfonyl-1234-tetrahydroquinolin-7-yl)-23-dimethoxybenzamide

SMILES

COc1cccc(C(Nc2cc(N(CCC3)S(C)(=O)=O)c3cc2)=O)c1OC

InChI

InChI=1S/C19H22N2O5S/c1-25-17-8-4-7-15(18(17)26-2)19(22)20-14-10-9-13-6-5-11-21(16(13)12-14)27(3,23)24/h4,7-10,12H,5-6,11H2,1-3H3,(H,20,22)

InChI Key

BHIWOTSICPZLQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08008681

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.276

Distribution Coefficient, logD

2.275

Water Solubility, LogSw

-3.22

Polar Surface Area

69.593

Acid Dissociation Constant (pKa)

9.96

Base Dissociation Constant (pKb)

-1.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

G513-0325 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 G513-0325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G513-0325?
Check Price and Availability of G513-0325, 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 G513-0325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G513-0325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G513-0325
  • 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 G513-0325 available by request