4482-3236 Screening compound: methyl 4-{[(4E)-3,5-dioxo-1-phenylpyrazolidin-4-ylidene]methyl}benzoate

4482-3236 Screening compound: methyl 4-{[(4E)-3,5-dioxo-1-phenylpyrazolidin-4-ylidene]methyl}benzoate
4482-3236 Screening compound: methyl 4-{[(4E)-3,5-dioxo-1-phenylpyrazolidin-4-ylidene]methyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4482-3236
methyl 4-{[(4E)-3,5-dioxo-1-phenylpyrazolidin-4-ylidene]methyl}benzoate

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

4482-3236

Molecular Formula

C18H14N2O4 (C18 H14 N2 O4)

Compound Name

methyl 4-{[(4E)-3,5-dioxo-1-phenylpyrazolidin-4-ylidene]methyl}benzoate

IUPAC name

methyl 4-{[(4E)-35-dioxo-1-phenylpyrazolidin-4-ylidene]methyl}benzoate

SMILES

COC(c1ccc(/C=C(\C(NN2c3ccccc3)=O)/C2=O)cc1)=O

InChI

InChI=1S/C18H14N2O4/c1-24-18(23)13-9-7-12(8-10-13)11-15-16(21)19-20(17(15)22)14-5-3-2-4-6-14/h2-11H,1H3,(H,19,21)

InChI Key

XYMCIPBCXLLKOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02614924

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.430

Distribution Coefficient, logD

2.367

Water Solubility, LogSw

-2.66

Polar Surface Area

63.934

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

-7.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

References: we are preparing a list of scientific research reports with 4482-3236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4482-3236?
Check Price and Availability of 4482-3236, 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 4482-3236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4482-3236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4482-3236
  • 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 4482-3236 available by request