G513-0519 Screening compound: 3-(4-methoxyphenyl)-N-[1-(propane-1-sulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]propanamide

G513-0519 Screening compound: 3-(4-methoxyphenyl)-N-[1-(propane-1-sulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]propanamide
G513-0519 Screening compound: 3-(4-methoxyphenyl)-N-[1-(propane-1-sulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G513-0519
3-(4-methoxyphenyl)-N-[1-(propane-1-sulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]propanamide

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

G513-0519

Molecular Formula

C22H28N2O4S (C22 H28 N2 O4 S)

Compound Name

3-(4-methoxyphenyl)-N-[1-(propane-1-sulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]propanamide

IUPAC name

3-(4-methoxyphenyl)-N-[1-(propane-1-sulfonyl)-1234-tetrahydroquinolin-7-yl]propanamide

SMILES

CCCS(N(CCC1)c2c1ccc(NC(CCc(cc1)ccc1OC)=O)c2)(=O)=O

InChI

InChI=1S/C22H28N2O4S/c1-3-15-29(26,27)24-14-4-5-18-9-10-19(16-21(18)24)23-22(25)13-8-17-6-11-20(28-2)12-7-17/h6-7,9-12,16H,3-5,8,13-15H2,1-2H3,(H,23,25)

InChI Key

QCUJEEYUJYVWNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09236612

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.491

Distribution Coefficient, logD

3.491

Water Solubility, LogSw

-3.85

Polar Surface Area

61.978

Acid Dissociation Constant (pKa)

11.54

Base Dissociation Constant (pKb)

-0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

G513-0519 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G513-0519 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G513-0519?
Check Price and Availability of G513-0519, 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 G513-0519 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G513-0519
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G513-0519
  • 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 G513-0519 available by request