Y031-3733 Screening compound: 4-{[4-(2-fluorophenyl)piperazino]carbonyl}-1-phenyl-2-pyrrolidinone

Y031-3733 Screening compound: 4-{[4-(2-fluorophenyl)piperazino]carbonyl}-1-phenyl-2-pyrrolidinone
Y031-3733 Screening compound: 4-{[4-(2-fluorophenyl)piperazino]carbonyl}-1-phenyl-2-pyrrolidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-3733
4-{[4-(2-fluorophenyl)piperazino]carbonyl}-1-phenyl-2-pyrrolidinone

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

Y031-3733

Molecular Formula

C21H22FN3O2 (C21 H22 FN3 O2)

Compound Name

4-{[4-(2-fluorophenyl)piperazino]carbonyl}-1-phenyl-2-pyrrolidinone

IUPAC name

4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one

SMILES

O=C(C(CC1=O)CN1c1ccccc1)N(CC1)CCN1c(cccc1)c1F

InChI

InChI=1S/C21H22FN3O2/c22-18-8-4-5-9-19(18)23-10-12-24(13-11-23)21(27)16-14-20(26)25(15-16)17-6-2-1-3-7-17/h1-9,16H,10-15H2/t16-/m0/s1

InChI Key

NQNFLDKZTDETHI-INIZCTEOSA-N

MDL Number (MFCD)

MFCD08069873

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

2.499

Distribution Coefficient, logD

2.499

Water Solubility, LogSw

-2.56

Polar Surface Area

36.596

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

4.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

Y031-3733 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y031-3733 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-3733?
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What is the minimum amount of Y031-3733 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-3733
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-3733
  • 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 Y031-3733 available by request