0591-5059 Screening compound: N-(5-methyl-1,2-oxazol-3-yl)-4-nitrobenzamide

0591-5059 Screening compound: N-(5-methyl-1,2-oxazol-3-yl)-4-nitrobenzamide
0591-5059 Screening compound: N-(5-methyl-1,2-oxazol-3-yl)-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0591-5059
N-(5-methyl-1,2-oxazol-3-yl)-4-nitrobenzamide

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

0591-5059

Molecular Formula

C11H9N3O4 (C11 H9 N3 O4)

Compound Name

N-(5-methyl-1,2-oxazol-3-yl)-4-nitrobenzamide

IUPAC name

N-(5-methyl-12-oxazol-3-yl)-4-nitrobenzamide

SMILES

Cc1cc(NC(c(cc2)ccc2[N+]([O-])=O)=O)no1

InChI

InChI=1S/C11H9N3O4/c1-7-6-10(13-18-7)12-11(15)8-2-4-9(5-3-8)14(16)17/h2-6H,1H3,(H,12,13,15)

InChI Key

JYCYWWSDZJILCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00170686

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

247.21

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.489

Distribution Coefficient, logD

1.940

Water Solubility, LogSw

-3.01

Polar Surface Area

78.507

Acid Dissociation Constant (pKa)

7.00

Base Dissociation Constant (pKb)

-3.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

0591-5059 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0591-5059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0591-5059?
Check Price and Availability of 0591-5059, 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 0591-5059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0591-5059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0591-5059
  • 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 0591-5059 available by request