0517-0050 Screening compound: (E)-1-(2H-1,3-benzodioxol-5-yl)-N-(3-nitrophenyl)methanimine

0517-0050 Screening compound: (E)-1-(2H-1,3-benzodioxol-5-yl)-N-(3-nitrophenyl)methanimine
0517-0050 Screening compound: (E)-1-(2H-1,3-benzodioxol-5-yl)-N-(3-nitrophenyl)methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0517-0050
(E)-1-(2H-1,3-benzodioxol-5-yl)-N-(3-nitrophenyl)methanimine

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

0517-0050

Molecular Formula

C14H10N2O4 (C14 H10 N2 O4)

Compound Name

(E)-1-(2H-1,3-benzodioxol-5-yl)-N-(3-nitrophenyl)methanimine

IUPAC name

(E)-1-(2H-13-benzodioxol-5-yl)-N-(3-nitrophenyl)methanimine

SMILES

[O-][N+](c1cc(/N=C/c(cc2)cc3c2OCO3)ccc1)=O

InChI

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

InChI Key

SSVHFGSDBVQNOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00022978

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

3.124

Distribution Coefficient, logD

3.124

Water Solubility, LogSw

-3.31

Polar Surface Area

58.863

Acid Dissociation Constant (pKa)

38.32

Base Dissociation Constant (pKb)

3.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

References: we are preparing a list of scientific research reports with 0517-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0517-0050?
Check Price and Availability of 0517-0050, 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 0517-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0517-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0517-0050
  • 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 0517-0050 available by request