8015-4122 Screening compound: 6-methoxy-3-nitrodibenzo[b,f]oxepine

8015-4122 Screening compound: 6-methoxy-3-nitrodibenzo[b,f]oxepine
8015-4122 Screening compound: 6-methoxy-3-nitrodibenzo[b,f]oxepine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-4122
6-methoxy-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

8015-4122

Molecular Formula

C15H11NO4 (C15 H11 NO4)

Compound Name

6-methoxy-3-nitrodibenzo[b,f]oxepine

IUPAC name

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

SMILES

COc1c2Oc(cc(cc3)[N+]([O-])=O)c3C=Cc2ccc1

InChI

InChI=1S/C15H11NO4/c1-19-13-4-2-3-11-6-5-10-7-8-12(16(17)18)9-14(10)20-15(11)13/h2-9H,1H3

InChI Key

RTYBNNXASDEOBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04061331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.26

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.938

Distribution Coefficient, logD

3.938

Water Solubility, LogSw

-4.21

Polar Surface Area

48.079

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

References: we are preparing a list of scientific research reports with 8015-4122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-4122?
Check Price and Availability of 8015-4122, 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 8015-4122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-4122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-4122
  • 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 8015-4122 available by request