4399-0511 Screening compound: (4E)-4-({3-[(2-methylphenyl)methoxy]phenyl}methylidene)-1-phenylpyrazolidine-3,5-dione

4399-0511 Screening compound: (4E)-4-({3-[(2-methylphenyl)methoxy]phenyl}methylidene)-1-phenylpyrazolidine-3,5-dione
4399-0511 Screening compound: (4E)-4-({3-[(2-methylphenyl)methoxy]phenyl}methylidene)-1-phenylpyrazolidine-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4399-0511
(4E)-4-({3-[(2-methylphenyl)methoxy]phenyl}methylidene)-1-phenylpyrazolidine-3,5-dione

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

4399-0511

Molecular Formula

C24H20N2O3 (C24 H20 N2 O3)

Compound Name

(4E)-4-({3-[(2-methylphenyl)methoxy]phenyl}methylidene)-1-phenylpyrazolidine-3,5-dione

IUPAC name

(4E)-4-({3-[(2-methylphenyl)methoxy]phenyl}methylidene)-1-phenylpyrazolidine-35-dione

SMILES

Cc1c(COc2cccc(/C=C(\C(NN3c4ccccc4)=O)/C3=O)c2)cccc1

InChI

InChI=1S/C24H20N2O3/c1-17-8-5-6-10-19(17)16-29-21-13-7-9-18(14-21)15-22-23(27)25-26(24(22)28)20-11-3-2-4-12-20/h2-15H,16H2,1H3,(H,25,27)

InChI Key

LUGMQDAPADGPMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03017044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.309

Distribution Coefficient, logD

4.246

Water Solubility, LogSw

-4.37

Polar Surface Area

49.987

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

-7.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

References: we are preparing a list of scientific research reports with 4399-0511 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4399-0511?
Check Price and Availability of 4399-0511, 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 4399-0511 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4399-0511
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4399-0511
  • 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 4399-0511 available by request