C444-1852 Screening compound: 1-acetyl-N-propyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide

C444-1852 Screening compound: 1-acetyl-N-propyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
C444-1852 Screening compound: 1-acetyl-N-propyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C444-1852
1-acetyl-N-propyl-1,2,3,4-tetrahydroquinoline-6-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

C444-1852

Molecular Formula

C14H20N2O3S (C14 H20 N2 O3 S)

Compound Name

1-acetyl-N-propyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide

IUPAC name

1-acetyl-N-propyl-1234-tetrahydroquinoline-6-sulfonamide

SMILES

CCCNS(c(cc1)cc(CCC2)c1N2C(C)=O)(=O)=O

InChI

InChI=1S/C14H20N2O3S/c1-3-8-15-20(18,19)13-6-7-14-12(10-13)5-4-9-16(14)11(2)17/h6-7,10,15H,3-5,8-9H2,1-2H3

InChI Key

KKHMZTFYFSTEGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13622547

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.976

Distribution Coefficient, logD

1.976

Water Solubility, LogSw

-2.85

Polar Surface Area

58.162

Acid Dissociation Constant (pKa)

11.18

Base Dissociation Constant (pKb)

-1.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C444-1852 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C444-1852 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C444-1852?
Check Price and Availability of C444-1852, 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 C444-1852 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C444-1852
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C444-1852
  • 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 C444-1852 available by request