C226-0759 Screening compound: N-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-3-isoxazolecarboxamide

C226-0759 Screening compound: N-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-3-isoxazolecarboxamide
C226-0759 Screening compound: N-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-3-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-0759
N-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-3-isoxazolecarboxamide

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

C226-0759

Molecular Formula

C18H14N2O5 (C18 H14 N2 O5)

Compound Name

N-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-3-isoxazolecarboxamide

IUPAC name

n/a

SMILES

COc(cc1)ccc1-c1cc(C(Nc(cc2)cc3c2OCO3)=O)no1

InChI

InChI=1S/C18H14N2O5/c1-22-13-5-2-11(3-6-13)16-9-14(20-25-16)18(21)19-12-4-7-15-17(8-12)24-10-23-15/h2-9H,10H2,1H3,(H,19,21)

InChI Key

JCEZMAQXMAJFHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09781963

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.647

Distribution Coefficient, logD

3.647

Water Solubility, LogSw

-4.02

Polar Surface Area

69.524

Acid Dissociation Constant (pKa)

11.24

Base Dissociation Constant (pKb)

-2.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

C226-0759 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antimitotic Tubulin Library (17355 compounds)

Antiviral Library (67538 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:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C226-0759 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-0759?
Check Price and Availability of C226-0759, 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 C226-0759 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-0759
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-0759
  • 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 C226-0759 available by request