5551-0168 Screening compound: 2-(2-chlorophenoxy)-N-{4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}acetamide

5551-0168 Screening compound: 2-(2-chlorophenoxy)-N-{4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}acetamide
5551-0168 Screening compound: 2-(2-chlorophenoxy)-N-{4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5551-0168
2-(2-chlorophenoxy)-N-{4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]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

5551-0168

Molecular Formula

C18H16ClN3O5S (C18 H16 ClN3 O5 S)

Compound Name

2-(2-chlorophenoxy)-N-{4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}acetamide

IUPAC name

2-(2-chlorophenoxy)-N-{4-[(5-methyl-12-oxazol-3-yl)sulfamoyl]phenyl}acetamide

SMILES

Cc1cc(NS(c(cc2)ccc2NC(COc(cccc2)c2Cl)=O)(=O)=O)no1

InChI

InChI=1S/C18H16ClN3O5S/c1-12-10-17(21-27-12)22-28(24,25)14-8-6-13(7-9-14)20-18(23)11-26-16-5-3-2-4-15(16)19/h2-10H,11H2,1H3,(H,20,23)(H,21,22)

InChI Key

VMNVSBAQPWCOGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03372829

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.86

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.292

Distribution Coefficient, logD

1.522

Water Solubility, LogSw

-3.53

Polar Surface Area

93.147

Acid Dissociation Constant (pKa)

5.64

Base Dissociation Constant (pKb)

-2.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

5551-0168 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 5551-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5551-0168?
Check Price and Availability of 5551-0168, 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 5551-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5551-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5551-0168
  • 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 5551-0168 available by request