2339-2212 Screening compound: (4Z)-3-ethoxy-4-[(4-methylphenyl)methylidene]-1-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-one

2339-2212 Screening compound: (4Z)-3-ethoxy-4-[(4-methylphenyl)methylidene]-1-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-one
2339-2212 Screening compound: (4Z)-3-ethoxy-4-[(4-methylphenyl)methylidene]-1-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2339-2212
(4Z)-3-ethoxy-4-[(4-methylphenyl)methylidene]-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

2339-2212

Molecular Formula

C19H17N3O4 (C19 H17 N3 O4)

Compound Name

(4Z)-3-ethoxy-4-[(4-methylphenyl)methylidene]-1-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-one

IUPAC name

(4Z)-3-ethoxy-4-[(4-methylphenyl)methylidene]-1-(4-nitrophenyl)-45-dihydro-1H-pyrazol-5-one

SMILES

CCOC(/C(/C1=O)=C/c2ccc(C)cc2)=NN1c(cc1)ccc1[N+]([O-])=O

InChI

InChI=1S/C19H17N3O4/c1-3-26-18-17(12-14-6-4-13(2)5-7-14)19(23)21(20-18)15-8-10-16(11-9-15)22(24)25/h4-12H,3H2,1-2H3

InChI Key

GRHQQFLQMVZLBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01841309

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.36

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

4.085

Distribution Coefficient, logD

4.085

Water Solubility, LogSw

-4.16

Polar Surface Area

67.947

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with 2339-2212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2339-2212?
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What is the minimum amount of 2339-2212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2339-2212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2339-2212
  • 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 2339-2212 available by request