8016-4973 Screening compound: 3-(benzyloxy)-7-nitrodibenzo[b,f]oxepine

8016-4973 Screening compound: 3-(benzyloxy)-7-nitrodibenzo[b,f]oxepine
8016-4973 Screening compound: 3-(benzyloxy)-7-nitrodibenzo[b,f]oxepine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-4973
3-(benzyloxy)-7-nitrodibenzo[b,f]oxepine

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

8016-4973

Molecular Formula

C21H15NO4 (C21 H15 NO4)

Compound Name

3-(benzyloxy)-7-nitrodibenzo[b,f]oxepine

IUPAC name

14-(benzyloxy)-5-nitro-2-oxatricyclo[9.4.0.0^{38}]pentadeca-1(11)35791214-heptaene

SMILES

[O-][N+](c(cc1)cc2c1C=Cc(ccc(OCc1ccccc1)c1)c1O2)=O

InChI

InChI=1S/C21H15NO4/c23-22(24)18-10-8-16-6-7-17-9-11-19(13-21(17)26-20(16)12-18)25-14-15-4-2-1-3-5-15/h1-13H,14H2

InChI Key

FVVSAHRLGOSBFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05856864

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.723

Distribution Coefficient, logD

5.723

Water Solubility, LogSw

-5.96

Polar Surface Area

47.992

Acid Dissociation Constant (pKa)

29.40

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

8016-4973 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 8016-4973 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-4973?
Check Price and Availability of 8016-4973, 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 8016-4973 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-4973
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-4973
  • 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 8016-4973 available by request