2339-2231 Screening compound: 4-[(Z)-1-(2-chloro-6-fluorophenyl)methylidene]-3-ethoxy-1-(4-nitrophenyl)-1H-pyrazol-5-one

2339-2231 Screening compound: 4-[(Z)-1-(2-chloro-6-fluorophenyl)methylidene]-3-ethoxy-1-(4-nitrophenyl)-1H-pyrazol-5-one
2339-2231 Screening compound: 4-[(Z)-1-(2-chloro-6-fluorophenyl)methylidene]-3-ethoxy-1-(4-nitrophenyl)-1H-pyrazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2339-2231
4-[(Z)-1-(2-chloro-6-fluorophenyl)methylidene]-3-ethoxy-1-(4-nitrophenyl)-1H-pyrazol-5-one

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

2339-2231

Molecular Formula

C18H13ClFN3O4 (C18 H13 ClFN3 O4)

Compound Name

4-[(Z)-1-(2-chloro-6-fluorophenyl)methylidene]-3-ethoxy-1-(4-nitrophenyl)-1H-pyrazol-5-one

IUPAC name

(4Z)-4-[(2-chloro-6-fluorophenyl)methylidene]-3-ethoxy-1-(4-nitrophenyl)-45-dihydro-1H-pyrazol-5-one

SMILES

CCOC(/C(/C1=O)=C/c(c(F)ccc2)c2Cl)=NN1c(cc1)ccc1[N+]([O-])=O

InChI

InChI=1S/C18H13ClFN3O4/c1-2-27-17-14(10-13-15(19)4-3-5-16(13)20)18(24)22(21-17)11-6-8-12(9-7-11)23(25)26/h3-10H,2H2,1H3

InChI Key

QLMVAGHENYXVQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01838056

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.77

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.925

Distribution Coefficient, logD

3.925

Water Solubility, LogSw

-4.32

Polar Surface Area

67.947

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

2339-2231 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2339-2231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2339-2231?
Check Price and Availability of 2339-2231, 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 2339-2231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2339-2231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2339-2231
  • 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 2339-2231 available by request