4477-0179 Screening compound: N-{4-[(2,2,4-trimethyl-1,2-dihydroquinolin-1-yl)sulfonyl]phenyl}acetamide

4477-0179 Screening compound: N-{4-[(2,2,4-trimethyl-1,2-dihydroquinolin-1-yl)sulfonyl]phenyl}acetamide
4477-0179 Screening compound: N-{4-[(2,2,4-trimethyl-1,2-dihydroquinolin-1-yl)sulfonyl]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4477-0179
N-{4-[(2,2,4-trimethyl-1,2-dihydroquinolin-1-yl)sulfonyl]phenyl}acetamide

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

4477-0179

Molecular Formula

C20H22N2O3S (C20 H22 N2 O3 S)

Compound Name

N-{4-[(2,2,4-trimethyl-1,2-dihydroquinolin-1-yl)sulfonyl]phenyl}acetamide

IUPAC name

N-{4-[(224-trimethyl-12-dihydroquinolin-1-yl)sulfonyl]phenyl}acetamide

SMILES

CC(C)(C=C(C)c1c2cccc1)N2S(c(cc1)ccc1NC(C)=O)(=O)=O

InChI

InChI=1S/C20H22N2O3S/c1-14-13-20(3,4)22(19-8-6-5-7-18(14)19)26(24,25)17-11-9-16(10-12-17)21-15(2)23/h5-13H,1-4H3,(H,21,23)

InChI Key

DCOYHHRXMPVNCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00808924

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.47

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

3.679

Distribution Coefficient, logD

3.679

Water Solubility, LogSw

-4.13

Polar Surface Area

54.202

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

4477-0179 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 4477-0179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4477-0179?
Check Price and Availability of 4477-0179, 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 4477-0179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4477-0179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4477-0179
  • 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 4477-0179 available by request