0978-8358 Screening compound: 2-[(1E)-2-(3-nitrophenyl)ethenyl]-4H-3,1-benzoxazin-4-one

0978-8358 Screening compound: 2-[(1E)-2-(3-nitrophenyl)ethenyl]-4H-3,1-benzoxazin-4-one
0978-8358 Screening compound: 2-[(1E)-2-(3-nitrophenyl)ethenyl]-4H-3,1-benzoxazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0978-8358
2-[(1E)-2-(3-nitrophenyl)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

0978-8358

Molecular Formula

C16H10N2O4 (C16 H10 N2 O4)

Compound Name

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

IUPAC name

2-[(1E)-2-(3-nitrophenyl)ethenyl]-4H-31-benzoxazin-4-one

SMILES

[O-][N+](c1cc(/C=C/C(O2)=Nc(cccc3)c3C2=O)ccc1)=O

InChI

InChI=1S/C16H10N2O4/c19-16-13-6-1-2-7-14(13)17-15(22-16)9-8-11-4-3-5-12(10-11)18(20)21/h1-10H

InChI Key

XBYFGHMONVRUBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00170720

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.27

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

3.311

Distribution Coefficient, logD

3.311

Water Solubility, LogSw

-4.08

Polar Surface Area

63.713

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 0978-8358 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0978-8358?
Check Price and Availability of 0978-8358, 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 0978-8358 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0978-8358
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0978-8358
  • 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 0978-8358 available by request