8004-4591 Screening compound: 2-[(E)-[(2,3-dichlorophenyl)imino]methyl]-6-nitrophenol

8004-4591 Screening compound: 2-[(E)-[(2,3-dichlorophenyl)imino]methyl]-6-nitrophenol
8004-4591 Screening compound: 2-[(E)-[(2,3-dichlorophenyl)imino]methyl]-6-nitrophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-4591
2-[(E)-[(2,3-dichlorophenyl)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

8004-4591

Molecular Formula

C13H8Cl2N2O3 (C13 H8 Cl2 N2 O3)

Compound Name

2-[(E)-[(2,3-dichlorophenyl)imino]methyl]-6-nitrophenol

IUPAC name

2-[(E)-[(23-dichlorophenyl)imino]methyl]-6-nitrophenol

SMILES

[O-][N+](c1cccc(/C=N/c2cccc(Cl)c2Cl)c1O)=O

InChI

InChI=1S/C13H8Cl2N2O3/c14-9-4-2-5-10(12(9)15)16-7-8-3-1-6-11(13(8)18)17(19)20/h1-7,18H

InChI Key

KJNAQGYFBYXTDC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00694918

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.12

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.483

Distribution Coefficient, logD

2.603

Water Solubility, LogSw

-4.17

Polar Surface Area

56.228

Acid Dissociation Constant (pKa)

5.53

Base Dissociation Constant (pKb)

2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8004-4591 in Drug Discovery

Included in Screening Libraries

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8004-4591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-4591?
Check Price and Availability of 8004-4591, 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 8004-4591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-4591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-4591
  • 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 8004-4591 available by request