C226-0531 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-1,2-oxazole-3-carboxamide

C226-0531 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-1,2-oxazole-3-carboxamide
C226-0531 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-0531
N-(2H-1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-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

C226-0531

Molecular Formula

C17H11BrN2O4 (C17 H11 BrN2 O4)

Compound Name

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

IUPAC name

N-(2H-13-benzodioxol-5-yl)-5-(4-bromophenyl)-12-oxazole-3-carboxamide

SMILES

O=C(c1noc(-c(cc2)ccc2Br)c1)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C17H11BrN2O4/c18-11-3-1-10(2-4-11)15-8-13(20-24-15)17(21)19-12-5-6-14-16(7-12)23-9-22-14/h1-8H,9H2,(H,19,21)

InChI Key

SPZSEHPAZRTEOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09781820

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.19

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.499

Distribution Coefficient, logD

4.499

Water Solubility, LogSw

-4.51

Polar Surface Area

61.980

Acid Dissociation Constant (pKa)

11.24

Base Dissociation Constant (pKb)

-2.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

C226-0531 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 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:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C226-0531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-0531?
Check Price and Availability of C226-0531, 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 C226-0531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-0531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-0531
  • 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 C226-0531 available by request