Y031-2912 Screening compound: 4-{[4-(1,3-benzodioxol-5-ylmethyl)piperazino]carbonyl}-1-(4-fluorophenyl)-2-pyrrolidinone

Y031-2912 Screening compound: 4-{[4-(1,3-benzodioxol-5-ylmethyl)piperazino]carbonyl}-1-(4-fluorophenyl)-2-pyrrolidinone
Y031-2912 Screening compound: 4-{[4-(1,3-benzodioxol-5-ylmethyl)piperazino]carbonyl}-1-(4-fluorophenyl)-2-pyrrolidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-2912
4-{[4-(1,3-benzodioxol-5-ylmethyl)piperazino]carbonyl}-1-(4-fluorophenyl)-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

Y031-2912

Molecular Formula

C23H24FN3O4 (C23 H24 FN3 O4)

Compound Name

4-{[4-(1,3-benzodioxol-5-ylmethyl)piperazino]carbonyl}-1-(4-fluorophenyl)-2-pyrrolidinone

IUPAC name

4-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-1-(4-fluorophenyl)pyrrolidin-2-one

SMILES

O=C(C(CC1=O)CN1c(cc1)ccc1F)N1CCN(Cc(cc2)cc3c2OCO3)CC1

InChI

InChI=1S/C23H24FN3O4/c24-18-2-4-19(5-3-18)27-14-17(12-22(27)28)23(29)26-9-7-25(8-10-26)13-16-1-6-20-21(11-16)31-15-30-20/h1-6,11,17H,7-10,12-15H2/t17-/m1/s1

InChI Key

HLSPVVLSZKIGJD-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD07134778

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.023

Distribution Coefficient, logD

1.555

Water Solubility, LogSw

-2.71

Polar Surface Area

54.293

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

7.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.13

Y031-2912 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with Y031-2912 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-2912?
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What is the minimum amount of Y031-2912 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-2912
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-2912
  • 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 Y031-2912 available by request