4593-3991 Screening compound: N-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}-2-(2,3,6-trimethylphenoxy)acetamide

4593-3991 Screening compound: N-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}-2-(2,3,6-trimethylphenoxy)acetamide
4593-3991 Screening compound: N-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}-2-(2,3,6-trimethylphenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4593-3991
N-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}-2-(2,3,6-trimethylphenoxy)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

4593-3991

Molecular Formula

C22H25N3O5S (C22 H25 N3 O5 S)

Compound Name

N-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}-2-(2,3,6-trimethylphenoxy)acetamide

IUPAC name

N-{4-[(34-dimethyl-12-oxazol-5-yl)sulfamoyl]phenyl}-2-(236-trimethylphenoxy)acetamide

SMILES

Cc1c(NS(c(cc2)ccc2NC(COc2c(C)c(C)ccc2C)=O)(=O)=O)onc1C

InChI

InChI=1S/C22H25N3O5S/c1-13-6-7-14(2)21(15(13)3)29-12-20(26)23-18-8-10-19(11-9-18)31(27,28)25-22-16(4)17(5)24-30-22/h6-11,25H,12H2,1-5H3,(H,23,26)

InChI Key

MPVODKSJVLQQNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02960161

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.52

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

4.332

Distribution Coefficient, logD

2.322

Water Solubility, LogSw

-4.32

Polar Surface Area

94.103

Acid Dissociation Constant (pKa)

5.40

Base Dissociation Constant (pKb)

-2.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

4593-3991 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antifungal Library (16415 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

PI3K-Targeted Library (17255 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4593-3991 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4593-3991?
Check Price and Availability of 4593-3991, 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 4593-3991 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4593-3991
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4593-3991
  • 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 4593-3991 available by request