C226-1227 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide

C226-1227 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide
C226-1227 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-1227
5-(2H-1,3-benzodioxol-5-yl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide

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

C226-1227

Molecular Formula

C20H18N2O7 (C20 H18 N2 O7)

Compound Name

5-(2H-1,3-benzodioxol-5-yl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide

IUPAC name

5-(2H-13-benzodioxol-5-yl)-N-(345-trimethoxyphenyl)-12-oxazole-3-carboxamide

SMILES

COc1cc(NC(c2noc(-c(cc3)cc4c3OCO4)c2)=O)cc(OC)c1OC

InChI

InChI=1S/C20H18N2O7/c1-24-17-7-12(8-18(25-2)19(17)26-3)21-20(23)13-9-15(29-22-13)11-4-5-14-16(6-11)28-10-27-14/h4-9H,10H2,1-3H3,(H,21,23)

InChI Key

FODDBMRKEYYBDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09782303

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.040

Distribution Coefficient, logD

3.039

Water Solubility, LogSw

-3.46

Polar Surface Area

84.958

Acid Dissociation Constant (pKa)

10.27

Base Dissociation Constant (pKb)

-2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C226-1227 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C226-1227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-1227?
Check Price and Availability of C226-1227, 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 C226-1227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-1227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-1227
  • 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 C226-1227 available by request