F998-5049 Screening compound: 1-[1-(2-CHLORO-5-FLUOROBENZOYL)-4-PIPERIDYL]-3-ETHYLTETRAHYDRO-2H-IMIDAZOL-2-ONE

F998-5049 Screening compound: 1-[1-(2-CHLORO-5-FLUOROBENZOYL)-4-PIPERIDYL]-3-ETHYLTETRAHYDRO-2H-IMIDAZOL-2-ONE
F998-5049 Screening compound: 1-[1-(2-CHLORO-5-FLUOROBENZOYL)-4-PIPERIDYL]-3-ETHYLTETRAHYDRO-2H-IMIDAZOL-2-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound F998-5049
1-[1-(2-CHLORO-5-FLUOROBENZOYL)-4-PIPERIDYL]-3-ETHYLTETRAHYDRO-2H-IMIDAZOL-2-ONE

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

F998-5049

Molecular Formula

C17H21ClFN3O2 (C17 H21 ClFN3 O2)

Compound Name

1-[1-(2-CHLORO-5-FLUOROBENZOYL)-4-PIPERIDYL]-3-ETHYLTETRAHYDRO-2H-IMIDAZOL-2-ONE

IUPAC name

1-[1-(2-chloro-5-fluorobenzoyl)piperidin-4-yl]-3-ethylimidazolidin-2-one

SMILES

CCN(CCN1C(CC2)CCN2C(c(cc(cc2)F)c2Cl)=O)C1=O

InChI

InChI=1S/C17H21ClFN3O2/c1-2-20-9-10-22(17(20)24)13-5-7-21(8-6-13)16(23)14-11-12(19)3-4-15(14)18/h3-4,11,13H,2,5-10H2,1H3

InChI Key

STSQUEFOOOJQKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27208701

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.82

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.840

Distribution Coefficient, logD

2.840

Water Solubility, LogSw

-3.56

Polar Surface Area

36.448

Acid Dissociation Constant (pKa)

27.81

Base Dissociation Constant (pKb)

4.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.94

F998-5049 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with F998-5049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F998-5049?
Check Price and Availability of F998-5049, 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 F998-5049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F998-5049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F998-5049
  • 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 F998-5049 available by request