6468-0343 Screening compound: 8-methyl-2-[(E)-2-(4-nitrophenyl)-1-ethenyl]-4H-3,1-benzoxazin-4-one

6468-0343 Screening compound: 8-methyl-2-[(E)-2-(4-nitrophenyl)-1-ethenyl]-4H-3,1-benzoxazin-4-one
6468-0343 Screening compound: 8-methyl-2-[(E)-2-(4-nitrophenyl)-1-ethenyl]-4H-3,1-benzoxazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6468-0343
8-methyl-2-[(E)-2-(4-nitrophenyl)-1-ethenyl]-4H-3,1-benzoxazin-4-one

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

6468-0343

Molecular Formula

C17H12N2O4 (C17 H12 N2 O4)

Compound Name

8-methyl-2-[(E)-2-(4-nitrophenyl)-1-ethenyl]-4H-3,1-benzoxazin-4-one

IUPAC name

8-methyl-2-[(1E)-2-(4-nitrophenyl)ethenyl]-4H-31-benzoxazin-4-one

SMILES

Cc1cccc2c1N=C(/C=C/c(cc1)ccc1[N+]([O-])=O)OC2=O

InChI

InChI=1S/C17H12N2O4/c1-11-3-2-4-14-16(11)18-15(23-17(14)20)10-7-12-5-8-13(9-6-12)19(21)22/h2-10H,1H3

InChI Key

ZOOVUZQXAGYMOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03780282

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.29

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.862

Distribution Coefficient, logD

3.862

Water Solubility, LogSw

-4.19

Polar Surface Area

61.461

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.88

6468-0343 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6468-0343 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6468-0343?
Check Price and Availability of 6468-0343, 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 6468-0343 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6468-0343
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6468-0343
  • 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 6468-0343 available by request