4998-1560 Screening compound: 4-(5-{[(4Z)-1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl}furan-2-yl)benzonitrile

4998-1560 Screening compound: 4-(5-{[(4Z)-1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl}furan-2-yl)benzonitrile
4998-1560 Screening compound: 4-(5-{[(4Z)-1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl}furan-2-yl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4998-1560
4-(5-{[(4Z)-1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl}furan-2-yl)benzonitrile

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

4998-1560

Molecular Formula

C22H14FN3O3 (C22 H14 FN3 O3)

Compound Name

4-(5-{[(4Z)-1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl}furan-2-yl)benzonitrile

IUPAC name

4-(5-{[(4Z)-1-[(2-fluorophenyl)methyl]-25-dioxoimidazolidin-4-ylidene]methyl}furan-2-yl)benzonitrile

SMILES

N#Cc(cc1)ccc1-c1ccc(/C=C(/C(N2Cc(cccc3)c3F)=O)\NC2=O)o1

InChI

InChI=1S/C22H14FN3O3/c23-18-4-2-1-3-16(18)13-26-21(27)19(25-22(26)28)11-17-9-10-20(29-17)15-7-5-14(12-24)6-8-15/h1-11H,13H2,(H,25,28)

InChI Key

OBGLBJXFXYCSAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04277604

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.398

Distribution Coefficient, logD

4.398

Water Solubility, LogSw

-4.55

Polar Surface Area

65.296

Acid Dissociation Constant (pKa)

12.33

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

4998-1560 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 4998-1560 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4998-1560?
Check Price and Availability of 4998-1560, 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 4998-1560 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4998-1560
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4998-1560
  • 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 4998-1560 available by request