8005-6939 Screening compound: (E)-1-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-N-(2-fluorophenyl)methanimine

8005-6939 Screening compound: (E)-1-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-N-(2-fluorophenyl)methanimine
8005-6939 Screening compound: (E)-1-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-N-(2-fluorophenyl)methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-6939
(E)-1-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-N-(2-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

8005-6939

Molecular Formula

C17H10ClFN2O3 (C17 H10 ClFN2 O3)

Compound Name

(E)-1-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-N-(2-fluorophenyl)methanimine

IUPAC name

(E)-1-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-N-(2-fluorophenyl)methanimine

SMILES

[O-][N+](c(cc(cc1)-c2ccc(/C=N/c(cccc3)c3F)o2)c1Cl)=O

InChI

InChI=1S/C17H10ClFN2O3/c18-13-7-5-11(9-16(13)21(22)23)17-8-6-12(24-17)10-20-15-4-2-1-3-14(15)19/h1-10H

InChI Key

ZCRDSCAPVFYLBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00821558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.73

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.718

Distribution Coefficient, logD

4.718

Water Solubility, LogSw

-5.19

Polar Surface Area

48.318

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

4.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8005-6939 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8005-6939 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-6939?
Check Price and Availability of 8005-6939, 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 8005-6939 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-6939
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-6939
  • 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 8005-6939 available by request