6359-0224 Screening compound: 4,4-dimethyl-2-[(1E)-2-(3-nitrophenyl)ethenyl]-4,5-dihydro-1,3-oxazole

6359-0224 Screening compound: 4,4-dimethyl-2-[(1E)-2-(3-nitrophenyl)ethenyl]-4,5-dihydro-1,3-oxazole
6359-0224 Screening compound: 4,4-dimethyl-2-[(1E)-2-(3-nitrophenyl)ethenyl]-4,5-dihydro-1,3-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 6359-0224
4,4-dimethyl-2-[(1E)-2-(3-nitrophenyl)ethenyl]-4,5-dihydro-1,3-oxazole

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

6359-0224

Molecular Formula

C13H14N2O3 (C13 H14 N2 O3)

Compound Name

4,4-dimethyl-2-[(1E)-2-(3-nitrophenyl)ethenyl]-4,5-dihydro-1,3-oxazole

IUPAC name

44-dimethyl-2-[(1E)-2-(3-nitrophenyl)ethenyl]-45-dihydro-13-oxazole

SMILES

CC1(C)N=C(/C=C/c2cccc([N+]([O-])=O)c2)OC1

InChI

InChI=1S/C13H14N2O3/c1-13(2)9-18-12(14-13)7-6-10-4-3-5-11(8-10)15(16)17/h3-8H,9H2,1-2H3

InChI Key

KZXOMDOFIZQGCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03856085

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

246.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.956

Distribution Coefficient, logD

2.956

Water Solubility, LogSw

-3.16

Polar Surface Area

51.642

Acid Dissociation Constant (pKa)

31.03

Base Dissociation Constant (pKb)

3.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

6359-0224 in Drug Discovery

Included in Screening Libraries

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 6359-0224 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6359-0224?
Check Price and Availability of 6359-0224, 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 6359-0224 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6359-0224
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6359-0224
  • 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 6359-0224 available by request