8006-3472 Screening compound: (4E)-4-[(4-chlorophenyl)methylidene]-3-(morpholin-4-yl)-1-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-one

8006-3472 Screening compound: (4E)-4-[(4-chlorophenyl)methylidene]-3-(morpholin-4-yl)-1-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-one
8006-3472 Screening compound: (4E)-4-[(4-chlorophenyl)methylidene]-3-(morpholin-4-yl)-1-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-3472
(4E)-4-[(4-chlorophenyl)methylidene]-3-(morpholin-4-yl)-1-(4-nitrophenyl)-4,5-dihydro-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

8006-3472

Molecular Formula

C20H17ClN4O4 (C20 H17 ClN4 O4)

Compound Name

(4E)-4-[(4-chlorophenyl)methylidene]-3-(morpholin-4-yl)-1-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-one

IUPAC name

(4E)-4-[(4-chlorophenyl)methylidene]-3-(morpholin-4-yl)-1-(4-nitrophenyl)-45-dihydro-1H-pyrazol-5-one

SMILES

[O-][N+](c(cc1)ccc1N(C(/C1=C/c(cc2)ccc2Cl)=O)N=C1N1CCOCC1)=O

InChI

InChI=1S/C20H17ClN4O4/c21-15-3-1-14(2-4-15)13-18-19(23-9-11-29-12-10-23)22-24(20(18)26)16-5-7-17(8-6-16)25(27)28/h1-8,13H,9-12H2

InChI Key

HWLFXXQFOWNYRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00824653

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.83

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.626

Distribution Coefficient, logD

3.626

Water Solubility, LogSw

-4.25

Polar Surface Area

70.474

Acid Dissociation Constant (pKa)

29.10

Base Dissociation Constant (pKb)

3.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8006-3472 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8006-3472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-3472?
Check Price and Availability of 8006-3472, 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 8006-3472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-3472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-3472
  • 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 8006-3472 available by request