C444-1894 Screening compound: 1-acetyl-N-(2H-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide

C444-1894 Screening compound: 1-acetyl-N-(2H-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
C444-1894 Screening compound: 1-acetyl-N-(2H-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C444-1894
1-acetyl-N-(2H-1,3-benzodioxol-5-yl)-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

C444-1894

Molecular Formula

C18H18N2O5S (C18 H18 N2 O5 S)

Compound Name

1-acetyl-N-(2H-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide

IUPAC name

1-acetyl-N-(2H-13-benzodioxol-5-yl)-1234-tetrahydroquinoline-6-sulfonamide

SMILES

CC(N(CCC1)c(cc2)c1cc2S(Nc(cc1)cc2c1OCO2)(=O)=O)=O

InChI

InChI=1S/C18H18N2O5S/c1-12(21)20-8-2-3-13-9-15(5-6-16(13)20)26(22,23)19-14-4-7-17-18(10-14)25-11-24-17/h4-7,9-10,19H,2-3,8,11H2,1H3

InChI Key

MHARXAOFYBLXAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758295

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.391

Distribution Coefficient, logD

2.348

Water Solubility, LogSw

-3.00

Polar Surface Area

74.056

Acid Dissociation Constant (pKa)

8.38

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

C444-1894 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C444-1894 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C444-1894?
Check Price and Availability of C444-1894, 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 C444-1894 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C444-1894
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C444-1894
  • 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 C444-1894 available by request