4783-0474 Screening compound: 2-[(1E)-2-(3-nitrophenyl)ethenyl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate

4783-0474 Screening compound: 2-[(1E)-2-(3-nitrophenyl)ethenyl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate
4783-0474 Screening compound: 2-[(1E)-2-(3-nitrophenyl)ethenyl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4783-0474
2-[(1E)-2-(3-nitrophenyl)ethenyl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate

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

4783-0474

Molecular Formula

C18H12N2O6 (C18 H12 N2 O6)

Compound Name

2-[(1E)-2-(3-nitrophenyl)ethenyl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate

IUPAC name

2-[(1E)-2-(3-nitrophenyl)ethenyl]-4-oxo-4H-31-benzoxazin-6-yl acetate

SMILES

CC(Oc(cc1)cc2c1N=C(/C=C/c1cccc([N+]([O-])=O)c1)OC2=O)=O

InChI

InChI=1S/C18H12N2O6/c1-11(21)25-14-6-7-16-15(10-14)18(22)26-17(19-16)8-5-12-3-2-4-13(9-12)20(23)24/h2-10H,1H3

InChI Key

RWVCGTIROMAYAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01974984

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.3

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.807

Distribution Coefficient, logD

2.807

Water Solubility, LogSw

-3.55

Polar Surface Area

84.464

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

References: we are preparing a list of scientific research reports with 4783-0474 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4783-0474?
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What is the minimum amount of 4783-0474 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4783-0474
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4783-0474
  • 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 4783-0474 available by request