8008-6697 Screening compound: 1-{3-[(E)-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]amino]phenyl}ethan-1-one

8008-6697 Screening compound: 1-{3-[(E)-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]amino]phenyl}ethan-1-one
8008-6697 Screening compound: 1-{3-[(E)-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]amino]phenyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-6697
1-{3-[(E)-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]amino]phenyl}ethan-1-one

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

8008-6697

Molecular Formula

C16H12N2O5 (C16 H12 N2 O5)

Compound Name

1-{3-[(E)-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]amino]phenyl}ethan-1-one

IUPAC name

1-{3-[(E)-[(6-nitro-2H-13-benzodioxol-5-yl)methylidene]amino]phenyl}ethan-1-one

SMILES

CC(c1cccc(/N=C/c(cc2OCOc2c2)c2[N+]([O-])=O)c1)=O

InChI

InChI=1S/C16H12N2O5/c1-10(19)11-3-2-4-13(5-11)17-8-12-6-15-16(23-9-22-15)7-14(12)18(20)21/h2-8H,9H2,1H3

InChI Key

RBXCNTAWOUJFBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00556034

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.28

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.672

Distribution Coefficient, logD

2.672

Water Solubility, LogSw

-3.10

Polar Surface Area

72.389

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

2.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 8008-6697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-6697?
Check Price and Availability of 8008-6697, 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 8008-6697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-6697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-6697
  • 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 8008-6697 available by request