0978-8360 Screening compound: 7-chloro-2-[(1E)-2-(3-nitrophenyl)ethenyl]-4H-3,1-benzoxazin-4-one

0978-8360 Screening compound: 7-chloro-2-[(1E)-2-(3-nitrophenyl)ethenyl]-4H-3,1-benzoxazin-4-one
0978-8360 Screening compound: 7-chloro-2-[(1E)-2-(3-nitrophenyl)ethenyl]-4H-3,1-benzoxazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0978-8360
7-chloro-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

0978-8360

Molecular Formula

C16H9ClN2O4 (C16 H9 ClN2 O4)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c1cccc(/C=C/C(O2)=Nc(cc(cc3)Cl)c3C2=O)c1)=O

InChI

InChI=1S/C16H9ClN2O4/c17-11-5-6-13-14(9-11)18-15(23-16(13)20)7-4-10-2-1-3-12(8-10)19(21)22/h1-9H

InChI Key

NEKBATUTCVMRFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00993949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.71

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

4.120

Distribution Coefficient, logD

4.120

Water Solubility, LogSw

-4.64

Polar Surface Area

63.713

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 0978-8360 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0978-8360?
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What is the minimum amount of 0978-8360 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0978-8360
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0978-8360
  • 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 0978-8360 available by request