8003-1817 Screening compound: 2-[(E)-{[2-chloro-5-(trifluoromethyl)phenyl]imino}methyl]-4-nitrophenol

8003-1817 Screening compound: 2-[(E)-{[2-chloro-5-(trifluoromethyl)phenyl]imino}methyl]-4-nitrophenol
8003-1817 Screening compound: 2-[(E)-{[2-chloro-5-(trifluoromethyl)phenyl]imino}methyl]-4-nitrophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-1817
2-[(E)-{[2-chloro-5-(trifluoromethyl)phenyl]imino}methyl]-4-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

8003-1817

Molecular Formula

C14H8ClF3N2O3 (C14 H8 ClF3 N2 O3)

Compound Name

2-[(E)-{[2-chloro-5-(trifluoromethyl)phenyl]imino}methyl]-4-nitrophenol

IUPAC name

2-[(E)-{[2-chloro-5-(trifluoromethyl)phenyl]imino}methyl]-4-nitrophenol

SMILES

[O-][N+](c(cc1)cc(/C=N/c(cc(C(F)(F)F)cc2)c2Cl)c1O)=O

InChI

InChI=1S/C14H8ClF3N2O3/c15-11-3-1-9(14(16,17)18)6-12(11)19-7-8-5-10(20(22)23)2-4-13(8)21/h1-7,21H

InChI Key

KSNOXRWZSAYZRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00392590

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.68

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.509

Distribution Coefficient, logD

2.658

Water Solubility, LogSw

-4.48

Polar Surface Area

57.598

Acid Dissociation Constant (pKa)

5.55

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

8003-1817 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Covalent Inhibitors Library (7986 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8003-1817 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-1817?
Check Price and Availability of 8003-1817, 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 8003-1817 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-1817
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-1817
  • 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 8003-1817 available by request