5195-0145 Screening compound: 2-[4-bromo-5-methyl-2-(propan-2-yl)phenoxy]-N-{4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}acetamide

5195-0145 Screening compound: 2-[4-bromo-5-methyl-2-(propan-2-yl)phenoxy]-N-{4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}acetamide
5195-0145 Screening compound: 2-[4-bromo-5-methyl-2-(propan-2-yl)phenoxy]-N-{4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5195-0145
2-[4-bromo-5-methyl-2-(propan-2-yl)phenoxy]-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

5195-0145

Molecular Formula

C22H24BrN3O5S (C22 H24 BrN3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c1cc(Br)c(C)cc1OCC(Nc(cc1)ccc1S(Nc1noc(C)c1)(=O)=O)=O

InChI

InChI=1S/C22H24BrN3O5S/c1-13(2)18-11-19(23)14(3)9-20(18)30-12-22(27)24-16-5-7-17(8-6-16)32(28,29)26-21-10-15(4)31-25-21/h5-11,13H,12H2,1-4H3,(H,24,27)(H,25,26)

InChI Key

LFWIEEHBMFJAGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03448586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.156

Distribution Coefficient, logD

3.385

Water Solubility, LogSw

-4.98

Polar Surface Area

93.147

Acid Dissociation Constant (pKa)

5.64

Base Dissociation Constant (pKb)

-2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

5195-0145 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Protein Kinases Inhibitors Library (36801 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
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 5195-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5195-0145?
Check Price and Availability of 5195-0145, 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 5195-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5195-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5195-0145
  • 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 5195-0145 available by request