2150-0828 Screening compound: (4Z)-4-{[4-(2,4-dinitrophenoxy)phenyl]methylidene}-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one

2150-0828 Screening compound: (4Z)-4-{[4-(2,4-dinitrophenoxy)phenyl]methylidene}-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one
2150-0828 Screening compound: (4Z)-4-{[4-(2,4-dinitrophenoxy)phenyl]methylidene}-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2150-0828
(4Z)-4-{[4-(2,4-dinitrophenoxy)phenyl]methylidene}-3-methyl-1-phenyl-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

2150-0828

Molecular Formula

C23H16N4O6 (C23 H16 N4 O6)

Compound Name

(4Z)-4-{[4-(2,4-dinitrophenoxy)phenyl]methylidene}-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one

IUPAC name

(4Z)-4-{[4-(24-dinitrophenoxy)phenyl]methylidene}-3-methyl-1-phenyl-45-dihydro-1H-pyrazol-5-one

SMILES

CC(/C(/C1=O)=C/c(cc2)ccc2Oc(ccc([N+]([O-])=O)c2)c2[N+]([O-])=O)=NN1c1ccccc1

InChI

InChI=1S/C23H16N4O6/c1-15-20(23(28)25(24-15)17-5-3-2-4-6-17)13-16-7-10-19(11-8-16)33-22-12-9-18(26(29)30)14-21(22)27(31)32/h2-14H,1H3

InChI Key

ABKYLIUHKASZEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01443282

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.4

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.523

Distribution Coefficient, logD

4.523

Water Solubility, LogSw

-4.55

Polar Surface Area

98.883

Acid Dissociation Constant (pKa)

27.50

Base Dissociation Constant (pKb)

2.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

2150-0828 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2150-0828 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2150-0828?
Check Price and Availability of 2150-0828, 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 2150-0828 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2150-0828
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2150-0828
  • 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 2150-0828 available by request