5450-1231 Screening compound: (5E)-5-{[1-(4-fluorophenyl)-1H-pyrrol-2-yl]methylidene}-3-phenylimidazolidine-2,4-dione

5450-1231 Screening compound: (5E)-5-{[1-(4-fluorophenyl)-1H-pyrrol-2-yl]methylidene}-3-phenylimidazolidine-2,4-dione
5450-1231 Screening compound: (5E)-5-{[1-(4-fluorophenyl)-1H-pyrrol-2-yl]methylidene}-3-phenylimidazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5450-1231
(5E)-5-{[1-(4-fluorophenyl)-1H-pyrrol-2-yl]methylidene}-3-phenylimidazolidine-2,4-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

5450-1231

Molecular Formula

C20H14FN3O2 (C20 H14 FN3 O2)

Compound Name

(5E)-5-{[1-(4-fluorophenyl)-1H-pyrrol-2-yl]methylidene}-3-phenylimidazolidine-2,4-dione

IUPAC name

(5E)-5-{[1-(4-fluorophenyl)-1H-pyrrol-2-yl]methylidene}-3-phenylimidazolidine-24-dione

SMILES

O=C(/C(/NC1=O)=C\c2cccn2-c(cc2)ccc2F)N1c1ccccc1

InChI

InChI=1S/C20H14FN3O2/c21-14-8-10-15(11-9-14)23-12-4-7-17(23)13-18-19(25)24(20(26)22-18)16-5-2-1-3-6-16/h1-13H,(H,22,26)

InChI Key

VZVYYZHUYGPDCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03699391

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.688

Distribution Coefficient, logD

3.688

Water Solubility, LogSw

-4.04

Polar Surface Area

42.588

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

-0.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

5450-1231 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 5450-1231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5450-1231?
Check Price and Availability of 5450-1231, 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 5450-1231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5450-1231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5450-1231
  • 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 5450-1231 available by request