8004-4478 Screening compound: (E)-1-(4-chloro-3-nitrophenyl)-N-(3-chloro-4-fluorophenyl)methanimine

8004-4478 Screening compound: (E)-1-(4-chloro-3-nitrophenyl)-N-(3-chloro-4-fluorophenyl)methanimine
8004-4478 Screening compound: (E)-1-(4-chloro-3-nitrophenyl)-N-(3-chloro-4-fluorophenyl)methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-4478
(E)-1-(4-chloro-3-nitrophenyl)-N-(3-chloro-4-fluorophenyl)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

8004-4478

Molecular Formula

C13H7Cl2FN2O2 (C13 H7 Cl2 FN2 O2)

Compound Name

(E)-1-(4-chloro-3-nitrophenyl)-N-(3-chloro-4-fluorophenyl)methanimine

IUPAC name

(E)-1-(4-chloro-3-nitrophenyl)-N-(3-chloro-4-fluorophenyl)methanimine

SMILES

[O-][N+](c(cc(/C=N/c(cc1)cc(Cl)c1F)cc1)c1Cl)=O

InChI

InChI=1S/C13H7Cl2FN2O2/c14-10-3-1-8(5-13(10)18(19)20)7-17-9-2-4-12(16)11(15)6-9/h1-7H

InChI Key

ZGTUWSRYFNGEKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00739065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.11

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.151

Distribution Coefficient, logD

4.151

Water Solubility, LogSw

-4.67

Polar Surface Area

41.446

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

1.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8004-4478 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 8004-4478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-4478?
Check Price and Availability of 8004-4478, 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 8004-4478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-4478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-4478
  • 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 8004-4478 available by request