C444-1871 Screening compound: 1-acetyl-N-butyl-N-ethyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide

C444-1871 Screening compound: 1-acetyl-N-butyl-N-ethyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
C444-1871 Screening compound: 1-acetyl-N-butyl-N-ethyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C444-1871
1-acetyl-N-butyl-N-ethyl-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

C444-1871

Molecular Formula

C17H26N2O3S (C17 H26 N2 O3 S)

Compound Name

1-acetyl-N-butyl-N-ethyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide

IUPAC name

1-acetyl-N-butyl-N-ethyl-1234-tetrahydroquinoline-6-sulfonamide

SMILES

CCCCN(CC)S(c(cc1)cc(CCC2)c1N2C(C)=O)(=O)=O

InChI

InChI=1S/C17H26N2O3S/c1-4-6-11-18(5-2)23(21,22)16-9-10-17-15(13-16)8-7-12-19(17)14(3)20/h9-10,13H,4-8,11-12H2,1-3H3

InChI Key

NABCPNHDGMVFAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758284

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.828

Distribution Coefficient, logD

2.828

Water Solubility, LogSw

-3.39

Polar Surface Area

47.641

Acid Dissociation Constant (pKa)

23.05

Base Dissociation Constant (pKb)

-1.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.80

C444-1871 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with C444-1871 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C444-1871?
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What is the minimum amount of C444-1871 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C444-1871
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C444-1871
  • 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 C444-1871 available by request