C796-0733 Screening compound: 4-{5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl}-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

C796-0733 Screening compound: 4-{5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl}-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
C796-0733 Screening compound: 4-{5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl}-N-[2-(4-sulfamoylphenyl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C796-0733
4-{5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl}-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

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

C796-0733

Molecular Formula

C27H27N3O5S (C27 H27 N3 O5 S)

Compound Name

4-{5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl}-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

IUPAC name

4-{5-methyl-4-[(4-methylphenoxy)methyl]-13-oxazol-2-yl}-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

SMILES

Cc1c(COc2ccc(C)cc2)nc(-c(cc2)ccc2C(NCCc(cc2)ccc2S(N)(=O)=O)=O)o1

InChI

InChI=1S/C27H27N3O5S/c1-18-3-11-23(12-4-18)34-17-25-19(2)35-27(30-25)22-9-7-21(8-10-22)26(31)29-16-15-20-5-13-24(14-6-20)36(28,32)33/h3-14H,15-17H2,1-2H3,(H,29,31)(H2,28,32,33)

InChI Key

RHIKHJMXGFQJFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797653

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.307

Distribution Coefficient, logD

3.307

Water Solubility, LogSw

-3.80

Polar Surface Area

100.446

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

C796-0733 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Selective Target Activity Profiling Library (14702 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Carbonic Anhydrase II Library (4939 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:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C796-0733 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C796-0733?
Check Price and Availability of C796-0733, 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 C796-0733 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C796-0733
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C796-0733
  • 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 C796-0733 available by request