4889-0253 Screening compound: (5Z)-5-{[1-(4-fluorophenyl)-1H-pyrrol-2-yl]methylidene}imidazolidine-2,4-dione

4889-0253 Screening compound: (5Z)-5-{[1-(4-fluorophenyl)-1H-pyrrol-2-yl]methylidene}imidazolidine-2,4-dione
4889-0253 Screening compound: (5Z)-5-{[1-(4-fluorophenyl)-1H-pyrrol-2-yl]methylidene}imidazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4889-0253
(5Z)-5-{[1-(4-fluorophenyl)-1H-pyrrol-2-yl]methylidene}imidazolidine-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

4889-0253

Molecular Formula

C14H10FN3O2 (C14 H10 FN3 O2)

Compound Name

(5Z)-5-{[1-(4-fluorophenyl)-1H-pyrrol-2-yl]methylidene}imidazolidine-2,4-dione

IUPAC name

(5Z)-5-{[1-(4-fluorophenyl)-1H-pyrrol-2-yl]methylidene}imidazolidine-24-dione

SMILES

O=C(/C(/N1)=C/c2cccn2-c(cc2)ccc2F)NC1=O

InChI

InChI=1S/C14H10FN3O2/c15-9-3-5-10(6-4-9)18-7-1-2-11(18)8-12-13(19)17-14(20)16-12/h1-8H,(H2,16,17,19,20)

InChI Key

CSIMGVFQALQQKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03228228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.25

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.005

Distribution Coefficient, logD

2.003

Water Solubility, LogSw

-2.62

Polar Surface Area

51.841

Acid Dissociation Constant (pKa)

9.75

Base Dissociation Constant (pKb)

-3.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4889-0253 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Agro:
  • Agro
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4889-0253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4889-0253?
Check Price and Availability of 4889-0253, 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 4889-0253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4889-0253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4889-0253
  • 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 4889-0253 available by request