0774-1210 Screening compound: (E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-nitrophenyl)methanimine

0774-1210 Screening compound: (E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-nitrophenyl)methanimine
0774-1210 Screening compound: (E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-nitrophenyl)methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0774-1210
(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-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

0774-1210

Molecular Formula

C15H12N2O4 (C15 H12 N2 O4)

Compound Name

(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-nitrophenyl)methanimine

IUPAC name

(E)-N-(23-dihydro-14-benzodioxin-6-yl)-1-(2-nitrophenyl)methanimine

SMILES

[O-][N+](c1c(/C=N/c(cc2)cc3c2OCCO3)cccc1)=O

InChI

InChI=1S/C15H12N2O4/c18-17(19)13-4-2-1-3-11(13)10-16-12-5-6-14-15(9-12)21-8-7-20-14/h1-6,9-10H,7-8H2

InChI Key

VYWHJJPCCZZREM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00414669

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.27

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

2.325

Distribution Coefficient, logD

2.325

Water Solubility, LogSw

-2.73

Polar Surface Area

57.270

Acid Dissociation Constant (pKa)

30.69

Base Dissociation Constant (pKb)

4.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

0774-1210 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0774-1210 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0774-1210?
Check Price and Availability of 0774-1210, 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 0774-1210 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0774-1210
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0774-1210
  • 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 0774-1210 available by request