S650-5527 Screening compound: N-(1-ethyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-1,2-dimethyl-1H-imidazole-4-sulfonamide

S650-5527 Screening compound: N-(1-ethyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-1,2-dimethyl-1H-imidazole-4-sulfonamide
S650-5527 Screening compound: N-(1-ethyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-1,2-dimethyl-1H-imidazole-4-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S650-5527
N-(1-ethyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-1,2-dimethyl-1H-imidazole-4-sulfonamide

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

S650-5527

Molecular Formula

C16H20N4O3S (C16 H20 N4 O3 S)

Compound Name

N-(1-ethyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-1,2-dimethyl-1H-imidazole-4-sulfonamide

IUPAC name

N-(1-ethyl-2-oxo-1234-tetrahydroquinolin-6-yl)-12-dimethyl-1H-imidazole-4-sulfonamide

SMILES

CCN(C(CC1)=O)c(cc2)c1cc2NS(c1cn(C)c(C)n1)(=O)=O

InChI

InChI=1S/C16H20N4O3S/c1-4-20-14-7-6-13(9-12(14)5-8-16(20)21)18-24(22,23)15-10-19(3)11(2)17-15/h6-7,9-10,18H,4-5,8H2,1-3H3

InChI Key

KFGXERRYFNQLLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29018567

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.790

Distribution Coefficient, logD

1.788

Water Solubility, LogSw

-2.60

Polar Surface Area

68.615

Acid Dissociation Constant (pKa)

9.82

Base Dissociation Constant (pKb)

1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

S650-5527 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with S650-5527 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S650-5527?
Check Price and Availability of S650-5527, 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 S650-5527 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S650-5527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S650-5527
  • 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 S650-5527 available by request