K788-4018 Screening compound: 1-{3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl}pyrrolidin-2-one

K788-4018 Screening compound: 1-{3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl}pyrrolidin-2-one
K788-4018 Screening compound: 1-{3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl}pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-4018
1-{3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl}pyrrolidin-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

K788-4018

Molecular Formula

C21H22FN3O2 (C21 H22 FN3 O2)

Compound Name

1-{3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl}pyrrolidin-2-one

IUPAC name

1-{3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl}pyrrolidin-2-one

SMILES

O=C(c1cc(N(CCC2)C2=O)ccc1)N(CC1)CCN1c(cc1)ccc1F

InChI

InChI=1S/C21H22FN3O2/c22-17-6-8-18(9-7-17)23-11-13-24(14-12-23)21(27)16-3-1-4-19(15-16)25-10-2-5-20(25)26/h1,3-4,6-9,15H,2,5,10-14H2

InChI Key

WWYUEEVEQWSLCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09352320

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.42

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

2.680

Distribution Coefficient, logD

2.680

Water Solubility, LogSw

-2.86

Polar Surface Area

36.964

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

K788-4018 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

Human GPCR Annotated Library (5539 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with K788-4018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-4018?
Check Price and Availability of K788-4018, 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 K788-4018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-4018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-4018
  • 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 K788-4018 available by request