8006-6387 Screening compound: (E)-1-(6-nitro-2H-1,3-benzodioxol-5-yl)-N-phenylmethanimine

8006-6387 Screening compound: (E)-1-(6-nitro-2H-1,3-benzodioxol-5-yl)-N-phenylmethanimine
8006-6387 Screening compound: (E)-1-(6-nitro-2H-1,3-benzodioxol-5-yl)-N-phenylmethanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-6387
(E)-1-(6-nitro-2H-1,3-benzodioxol-5-yl)-N-phenylmethanimine

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

8006-6387

Molecular Formula

C14H10N2O4 (C14 H10 N2 O4)

Compound Name

(E)-1-(6-nitro-2H-1,3-benzodioxol-5-yl)-N-phenylmethanimine

IUPAC name

(E)-1-(6-nitro-2H-13-benzodioxol-5-yl)-N-phenylmethanimine

SMILES

[O-][N+](c1c(/C=N/c2ccccc2)cc2OCOc2c1)=O

InChI

InChI=1S/C14H10N2O4/c17-16(18)12-7-14-13(19-9-20-14)6-10(12)8-15-11-4-2-1-3-5-11/h1-8H,9H2

InChI Key

XEQQXDGJVCIHHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00556030

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

270.24

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.991

Distribution Coefficient, logD

2.991

Water Solubility, LogSw

-3.48

Polar Surface Area

58.562

Acid Dissociation Constant (pKa)

38.32

Base Dissociation Constant (pKb)

4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

8006-6387 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8006-6387 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-6387?
Check Price and Availability of 8006-6387, 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 8006-6387 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-6387
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-6387
  • 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 8006-6387 available by request