2078-0102 Screening compound: 4-[(2-chlorophenyl)methyl]-2-[(E)-[(4-ethoxyphenyl)imino]methyl]-6-nitrophenol

2078-0102 Screening compound: 4-[(2-chlorophenyl)methyl]-2-[(E)-[(4-ethoxyphenyl)imino]methyl]-6-nitrophenol
2078-0102 Screening compound: 4-[(2-chlorophenyl)methyl]-2-[(E)-[(4-ethoxyphenyl)imino]methyl]-6-nitrophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 2078-0102
4-[(2-chlorophenyl)methyl]-2-[(E)-[(4-ethoxyphenyl)imino]methyl]-6-nitrophenol

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

2078-0102

Molecular Formula

C22H19ClN2O4 (C22 H19 ClN2 O4)

Compound Name

4-[(2-chlorophenyl)methyl]-2-[(E)-[(4-ethoxyphenyl)imino]methyl]-6-nitrophenol

IUPAC name

4-[(2-chlorophenyl)methyl]-2-[(E)-[(4-ethoxyphenyl)imino]methyl]-6-nitrophenol

SMILES

CCOc(cc1)ccc1/N=C/c1cc(Cc(cccc2)c2Cl)cc([N+]([O-])=O)c1O

InChI

InChI=1S/C22H19ClN2O4/c1-2-29-19-9-7-18(8-10-19)24-14-17-12-15(13-21(22(17)26)25(27)28)11-16-5-3-4-6-20(16)23/h3-10,12-14,26H,2,11H2,1H3

InChI Key

YPIDYMZAWCOIIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01839635

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.117

Distribution Coefficient, logD

4.315

Water Solubility, LogSw

-5.74

Polar Surface Area

63.778

Acid Dissociation Constant (pKa)

5.60

Base Dissociation Constant (pKb)

3.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with 2078-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2078-0102?
Check Price and Availability of 2078-0102, 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 2078-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2078-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2078-0102
  • 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 2078-0102 available by request