3972-0001 Screening compound: (4Z)-4-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-1-phenylpyrazolidine-3,5-dione

3972-0001 Screening compound: (4Z)-4-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-1-phenylpyrazolidine-3,5-dione
3972-0001 Screening compound: (4Z)-4-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-1-phenylpyrazolidine-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3972-0001
(4Z)-4-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-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

3972-0001

Molecular Formula

C16H12N2O3 (C16 H12 N2 O3)

Compound Name

(4Z)-4-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-1-phenylpyrazolidine-3,5-dione

IUPAC name

(4Z)-4-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-1-phenylpyrazolidine-35-dione

SMILES

O=C(/C(/C1=O)=C/C=C/c2ccco2)NN1c1ccccc1

InChI

InChI=1S/C16H12N2O3/c19-15-14(10-4-8-13-9-5-11-21-13)16(20)18(17-15)12-6-2-1-3-7-12/h1-11H,(H,17,19)

InChI Key

PTDRFTNUSKZRCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03016069

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.881

Distribution Coefficient, logD

0.715

Water Solubility, LogSw

-2.16

Polar Surface Area

50.509

Acid Dissociation Constant (pKa)

6.26

Base Dissociation Constant (pKb)

0.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 3972-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3972-0001?
Check Price and Availability of 3972-0001, 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 3972-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3972-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3972-0001
  • 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 3972-0001 available by request