4285-1786 Screening compound: (4Z)-4-{[5-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-yl]methylidene}-1-phenylpyrazolidine-3,5-dione

4285-1786 Screening compound: (4Z)-4-{[5-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-yl]methylidene}-1-phenylpyrazolidine-3,5-dione
4285-1786 Screening compound: (4Z)-4-{[5-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-yl]methylidene}-1-phenylpyrazolidine-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4285-1786
(4Z)-4-{[5-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-yl]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

4285-1786

Molecular Formula

C22H14N2O5 (C22 H14 N2 O5)

Compound Name

(4Z)-4-{[5-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-yl]methylidene}-1-phenylpyrazolidine-3,5-dione

IUPAC name

(4Z)-4-{[5-(1-oxo-13-dihydro-2-benzofuran-5-yl)furan-2-yl]methylidene}-1-phenylpyrazolidine-35-dione

SMILES

O=C(/C(/C1=O)=C/c2ccc(-c(cc3)cc(CO4)c3C4=O)o2)NN1c1ccccc1

InChI

InChI=1S/C22H14N2O5/c25-20-18(21(26)24(23-20)15-4-2-1-3-5-15)11-16-7-9-19(29-16)13-6-8-17-14(10-13)12-28-22(17)27/h1-11H,12H2,(H,23,25)

InChI Key

IQEIDLMNDGCJGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02067441

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.780

Distribution Coefficient, logD

2.712

Water Solubility, LogSw

-3.57

Polar Surface Area

72.902

Acid Dissociation Constant (pKa)

8.17

Base Dissociation Constant (pKb)

-7.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

References: we are preparing a list of scientific research reports with 4285-1786 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4285-1786?
Check Price and Availability of 4285-1786, 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 4285-1786 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4285-1786
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4285-1786
  • 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 4285-1786 available by request