8013-1881 Screening compound: (4E)-4-{[5-(2,4-difluorophenyl)furan-2-yl]methylidene}-1-phenylpyrazolidine-3,5-dione

8013-1881 Screening compound: (4E)-4-{[5-(2,4-difluorophenyl)furan-2-yl]methylidene}-1-phenylpyrazolidine-3,5-dione
8013-1881 Screening compound: (4E)-4-{[5-(2,4-difluorophenyl)furan-2-yl]methylidene}-1-phenylpyrazolidine-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1881
(4E)-4-{[5-(2,4-difluorophenyl)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

8013-1881

Molecular Formula

C20H12F2N2O3 (C20 H12 F2 N2 O3)

Compound Name

(4E)-4-{[5-(2,4-difluorophenyl)furan-2-yl]methylidene}-1-phenylpyrazolidine-3,5-dione

IUPAC name

(4E)-4-{[5-(24-difluorophenyl)furan-2-yl]methylidene}-1-phenylpyrazolidine-35-dione

SMILES

O=C(/C(/C1=O)=C\c2ccc(-c(ccc(F)c3)c3F)o2)NN1c1ccccc1

InChI

InChI=1S/C20H12F2N2O3/c21-12-6-8-15(17(22)10-12)18-9-7-14(27-18)11-16-19(25)23-24(20(16)26)13-4-2-1-3-5-13/h1-11H,(H,23,25)

InChI Key

JPUKQKUUBYAQBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03763625

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.32

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

3.719

Distribution Coefficient, logD

3.651

Water Solubility, LogSw

-4.21

Polar Surface Area

50.330

Acid Dissociation Constant (pKa)

8.17

Base Dissociation Constant (pKb)

-7.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 8013-1881 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1881?
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What is the minimum amount of 8013-1881 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1881
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1881
  • 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 8013-1881 available by request