G513-0339 Screening compound: N-(1-methanesulfonyl-1,2,3,4-tetrahydroquinolin-7-yl)-2-(trifluoromethyl)benzamide

G513-0339 Screening compound: N-(1-methanesulfonyl-1,2,3,4-tetrahydroquinolin-7-yl)-2-(trifluoromethyl)benzamide
G513-0339 Screening compound: N-(1-methanesulfonyl-1,2,3,4-tetrahydroquinolin-7-yl)-2-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G513-0339
N-(1-methanesulfonyl-1,2,3,4-tetrahydroquinolin-7-yl)-2-(trifluoromethyl)benzamide

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

G513-0339

Molecular Formula

C18H17F3N2O3S (C18 H17 F3 N2 O3 S)

Compound Name

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

IUPAC name

N-(1-methanesulfonyl-1234-tetrahydroquinolin-7-yl)-2-(trifluoromethyl)benzamide

SMILES

CS(N(CCC1)c2c1ccc(NC(c1c(C(F)(F)F)cccc1)=O)c2)(=O)=O

InChI

InChI=1S/C18H17F3N2O3S/c1-27(25,26)23-10-4-5-12-8-9-13(11-16(12)23)22-17(24)14-6-2-3-7-15(14)18(19,20)21/h2-3,6-9,11H,4-5,10H2,1H3,(H,22,24)

InChI Key

MXRJIIADQKDFQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08008695

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.41

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

2.839

Distribution Coefficient, logD

2.588

Water Solubility, LogSw

-3.77

Polar Surface Area

54.246

Acid Dissociation Constant (pKa)

7.51

Base Dissociation Constant (pKb)

-2.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

G513-0339 in Drug Discovery

Included in Screening Libraries

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G513-0339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G513-0339?
Check Price and Availability of G513-0339, 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 G513-0339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G513-0339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G513-0339
  • 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 G513-0339 available by request