8003-5822 Screening compound: 4-[(E)-[(2-chlorophenyl)imino]methyl]-2-nitrophenyl 4-methoxybenzoate

8003-5822 Screening compound: 4-[(E)-[(2-chlorophenyl)imino]methyl]-2-nitrophenyl 4-methoxybenzoate
8003-5822 Screening compound: 4-[(E)-[(2-chlorophenyl)imino]methyl]-2-nitrophenyl 4-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-5822
4-[(E)-[(2-chlorophenyl)imino]methyl]-2-nitrophenyl 4-methoxybenzoate

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

8003-5822

Molecular Formula

C21H15ClN2O5 (C21 H15 ClN2 O5)

Compound Name

4-[(E)-[(2-chlorophenyl)imino]methyl]-2-nitrophenyl 4-methoxybenzoate

IUPAC name

4-[(E)-[(2-chlorophenyl)imino]methyl]-2-nitrophenyl 4-methoxybenzoate

SMILES

COc(cc1)ccc1C(Oc(ccc(/C=N/c(cccc1)c1Cl)c1)c1[N+]([O-])=O)=O

InChI

InChI=1S/C21H15ClN2O5/c1-28-16-9-7-15(8-10-16)21(25)29-20-11-6-14(12-19(20)24(26)27)13-23-18-5-3-2-4-17(18)22/h2-13H,1H3

InChI Key

IDABCGWWJUEHRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00744456

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.81

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.498

Distribution Coefficient, logD

4.498

Water Solubility, LogSw

-4.95

Polar Surface Area

68.757

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

3.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

References: we are preparing a list of scientific research reports with 8003-5822 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-5822?
Check Price and Availability of 8003-5822, 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 8003-5822 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-5822
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-5822
  • 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 8003-5822 available by request