C444-1861 Screening compound: 1-acetyl-N-(2-chloro-4-methylphenyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide

C444-1861 Screening compound: 1-acetyl-N-(2-chloro-4-methylphenyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
C444-1861 Screening compound: 1-acetyl-N-(2-chloro-4-methylphenyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C444-1861
1-acetyl-N-(2-chloro-4-methylphenyl)-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

C444-1861

Molecular Formula

C18H19ClN2O3S (C18 H19 ClN2 O3 S)

Compound Name

1-acetyl-N-(2-chloro-4-methylphenyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide

IUPAC name

1-acetyl-N-(2-chloro-4-methylphenyl)-1234-tetrahydroquinoline-6-sulfonamide

SMILES

CC(N(CCC1)c(cc2)c1cc2S(Nc(ccc(C)c1)c1Cl)(=O)=O)=O

InChI

InChI=1S/C18H19ClN2O3S/c1-12-5-7-17(16(19)10-12)20-25(23,24)15-6-8-18-14(11-15)4-3-9-21(18)13(2)22/h5-8,10-11,20H,3-4,9H2,1-2H3

InChI Key

LVMXUFMZKPMJFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09388680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.485

Distribution Coefficient, logD

3.299

Water Solubility, LogSw

-3.76

Polar Surface Area

56.242

Acid Dissociation Constant (pKa)

7.67

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

C444-1861 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C444-1861 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C444-1861?
Check Price and Availability of C444-1861, 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 C444-1861 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C444-1861
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C444-1861
  • 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 C444-1861 available by request