G514-0460 Screening compound: N-(4-{[1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]sulfamoyl}phenyl)-2-methylpropanamide

G514-0460 Screening compound: N-(4-{[1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]sulfamoyl}phenyl)-2-methylpropanamide
G514-0460 Screening compound: N-(4-{[1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]sulfamoyl}phenyl)-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G514-0460
N-(4-{[1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]sulfamoyl}phenyl)-2-methylpropanamide

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

G514-0460

Molecular Formula

C21H27N3O5S2 (C21 H27 N3 O5 S2)

Compound Name

N-(4-{[1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]sulfamoyl}phenyl)-2-methylpropanamide

IUPAC name

N-(4-{[1-(ethanesulfonyl)-1234-tetrahydroquinolin-7-yl]sulfamoyl}phenyl)-2-methylpropanamide

SMILES

CCS(N(CCC1)c2c1ccc(NS(c(cc1)ccc1NC(C(C)C)=O)(=O)=O)c2)(=O)=O

InChI

InChI=1S/C21H27N3O5S2/c1-4-30(26,27)24-13-5-6-16-7-8-18(14-20(16)24)23-31(28,29)19-11-9-17(10-12-19)22-21(25)15(2)3/h7-12,14-15,23H,4-6,13H2,1-3H3,(H,22,25)

InChI Key

CCRJNGJXHORPMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09236842

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.870

Distribution Coefficient, logD

2.861

Water Solubility, LogSw

-3.69

Polar Surface Area

95.569

Acid Dissociation Constant (pKa)

9.10

Base Dissociation Constant (pKb)

-1.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

G514-0460 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 G514-0460 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G514-0460?
Check Price and Availability of G514-0460, 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 G514-0460 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G514-0460
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G514-0460
  • 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 G514-0460 available by request