G513-0404 Screening compound: N-(1-methanesulfonyl-1,2,3,4-tetrahydroquinolin-7-yl)-2-(3-methylphenoxy)acetamide

G513-0404 Screening compound: N-(1-methanesulfonyl-1,2,3,4-tetrahydroquinolin-7-yl)-2-(3-methylphenoxy)acetamide
G513-0404 Screening compound: N-(1-methanesulfonyl-1,2,3,4-tetrahydroquinolin-7-yl)-2-(3-methylphenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G513-0404
N-(1-methanesulfonyl-1,2,3,4-tetrahydroquinolin-7-yl)-2-(3-methylphenoxy)acetamide

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

G513-0404

Molecular Formula

C19H22N2O4S (C19 H22 N2 O4 S)

Compound Name

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

IUPAC name

N-(1-methanesulfonyl-1234-tetrahydroquinolin-7-yl)-2-(3-methylphenoxy)acetamide

SMILES

Cc1cccc(OCC(Nc2cc(N(CCC3)S(C)(=O)=O)c3cc2)=O)c1

InChI

InChI=1S/C19H22N2O4S/c1-14-5-3-7-17(11-14)25-13-19(22)20-16-9-8-15-6-4-10-21(18(15)12-16)26(2,23)24/h3,5,7-9,11-12H,4,6,10,13H2,1-2H3,(H,20,22)

InChI Key

KRFSIXMJVODCGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08008760

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.992

Distribution Coefficient, logD

2.992

Water Solubility, LogSw

-3.49

Polar Surface Area

61.532

Acid Dissociation Constant (pKa)

12.09

Base Dissociation Constant (pKb)

-0.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

G513-0404 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with G513-0404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G513-0404?
Check Price and Availability of G513-0404, 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 G513-0404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G513-0404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G513-0404
  • 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 G513-0404 available by request