8013-0378 Screening compound: 1-(4-methoxyphenoxy)-3-nitrodibenzo[b,f]oxepine

8013-0378 Screening compound: 1-(4-methoxyphenoxy)-3-nitrodibenzo[b,f]oxepine
8013-0378 Screening compound: 1-(4-methoxyphenoxy)-3-nitrodibenzo[b,f]oxepine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-0378
1-(4-methoxyphenoxy)-3-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

8013-0378

Molecular Formula

C21H15NO5 (C21 H15 NO5)

Compound Name

1-(4-methoxyphenoxy)-3-nitrodibenzo[b,f]oxepine

IUPAC name

7-(4-methoxyphenoxy)-5-nitro-2-oxatricyclo[9.4.0.0^{38}]pentadeca-1(15)35791113-heptaene

SMILES

COc(cc1)ccc1Oc1cc([N+]([O-])=O)cc2c1C=Cc(cccc1)c1O2

InChI

InChI=1S/C21H15NO5/c1-25-16-7-9-17(10-8-16)26-20-12-15(22(23)24)13-21-18(20)11-6-14-4-2-3-5-19(14)27-21/h2-13H,1H3

InChI Key

URKVIGMSKGSKOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03408457

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.528

Distribution Coefficient, logD

5.528

Water Solubility, LogSw

-5.58

Polar Surface Area

55.143

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

8013-0378 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8013-0378 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-0378?
Check Price and Availability of 8013-0378, 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 8013-0378 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-0378
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-0378
  • 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 8013-0378 available by request