8011-8313 Screening compound: N~2~-(3-nitrodibenzo[b,f]oxepin-1-yl)-2-furamide

8011-8313 Screening compound: N~2~-(3-nitrodibenzo[b,f]oxepin-1-yl)-2-furamide
8011-8313 Screening compound: N~2~-(3-nitrodibenzo[b,f]oxepin-1-yl)-2-furamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-8313
N~2~-(3-nitrodibenzo[b,f]oxepin-1-yl)-2-furamide

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

8011-8313

Molecular Formula

C19H12N2O5 (C19 H12 N2 O5)

Compound Name

N~2~-(3-nitrodibenzo[b,f]oxepin-1-yl)-2-furamide

IUPAC name

N-{5-nitro-2-oxatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)4691214-heptaen-7-yl}furan-2-carboxamide

SMILES

[O-][N+](c1cc(Oc(cccc2)c2C=C2)c2c(NC(c2ccco2)=O)c1)=O

InChI

InChI=1S/C19H12N2O5/c22-19(17-6-3-9-25-17)20-15-10-13(21(23)24)11-18-14(15)8-7-12-4-1-2-5-16(12)26-18/h1-11H,(H,20,22)

InChI Key

KSVOQAWAXRBCNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02625852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.098

Distribution Coefficient, logD

4.087

Water Solubility, LogSw

-4.67

Polar Surface Area

71.736

Acid Dissociation Constant (pKa)

9.00

Base Dissociation Constant (pKb)

-7.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 8011-8313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-8313?
Check Price and Availability of 8011-8313, 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 8011-8313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-8313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-8313
  • 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 8011-8313 available by request