8016-4961 Screening compound: 3-nitro-8-[(E)-2-phenyl-1-diazenyl]dibenzo[b,f]oxepine-1-carboxamide

8016-4961 Screening compound: 3-nitro-8-[(E)-2-phenyl-1-diazenyl]dibenzo[b,f]oxepine-1-carboxamide
8016-4961 Screening compound: 3-nitro-8-[(E)-2-phenyl-1-diazenyl]dibenzo[b,f]oxepine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-4961
3-nitro-8-[(E)-2-phenyl-1-diazenyl]dibenzo[b,f]oxepine-1-carboxamide

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

8016-4961

Molecular Formula

C21H14N4O4 (C21 H14 N4 O4)

Compound Name

3-nitro-8-[(E)-2-phenyl-1-diazenyl]dibenzo[b,f]oxepine-1-carboxamide

IUPAC name

5-nitro-13-[(1E)-2-phenyldiazen-1-yl]-2-oxatricyclo[9.4.0.0^{38}]pentadeca-1(11)35791214-heptaene-7-carboxamide

SMILES

NC(c1cc([N+]([O-])=O)cc2c1C=Cc(cc(cc1)/N=N/c3ccccc3)c1O2)=O

InChI

InChI=1S/C21H14N4O4/c22-21(26)18-11-16(25(27)28)12-20-17(18)8-6-13-10-15(7-9-19(13)29-20)24-23-14-4-2-1-3-5-14/h1-12H,(H2,22,26)

InChI Key

OPQOIOXZJXENQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05856852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.540

Distribution Coefficient, logD

4.540

Water Solubility, LogSw

-4.75

Polar Surface Area

96.511

Acid Dissociation Constant (pKa)

12.82

Base Dissociation Constant (pKb)

-3.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 8016-4961 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-4961?
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What is the minimum amount of 8016-4961 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-4961
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-4961
  • 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 8016-4961 available by request