0647-0001 Screening compound: 2,8-dinitro-6,12-diphenyldibenzo[b,f][1,5]diazocine

0647-0001 Screening compound: 2,8-dinitro-6,12-diphenyldibenzo[b,f][1,5]diazocine
0647-0001 Screening compound: 2,8-dinitro-6,12-diphenyldibenzo[b,f][1,5]diazocine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0647-0001
2,8-dinitro-6,12-diphenyldibenzo[b,f][1,5]diazocine

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

0647-0001

Molecular Formula

C26H16N4O4 (C26 H16 N4 O4)

Compound Name

2,8-dinitro-6,12-diphenyldibenzo[b,f][1,5]diazocine

IUPAC name

(2Z10Z)-614-dinitro-311-diphenyl-210-diazatricyclo[10.4.0.0^{49}]hexadeca-1(16)2468101214-octaene

SMILES

[O-][N+](c(cc1)cc2c1/N=C(/c1ccccc1)\c(cc(cc1)[N+]([O-])=O)c1/N=C2/c1ccccc1)=O

InChI

InChI=1S/C26H16N4O4/c31-29(32)19-11-13-23-21(15-19)25(17-7-3-1-4-8-17)27-24-14-12-20(30(33)34)16-22(24)26(28-23)18-9-5-2-6-10-18/h1-16H

InChI Key

DMGTVRNISVAMGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00222139

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.294

Distribution Coefficient, logD

3.730

Water Solubility, LogSw

-4.56

Polar Surface Area

82.656

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

7.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 0647-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0647-0001?
Check Price and Availability of 0647-0001, 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 0647-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0647-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0647-0001
  • 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 0647-0001 available by request