4514-0301 Screening compound: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-1-phenyldihydro-1H-pyrrole-2,5-dione

4514-0301 Screening compound: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-1-phenyldihydro-1H-pyrrole-2,5-dione
4514-0301 Screening compound: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-1-phenyldihydro-1H-pyrrole-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4514-0301
3-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-1-phenyldihydro-1H-pyrrole-2,5-dione

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

4514-0301

Molecular Formula

C22H23N3O4 (C22 H23 N3 O4)

Compound Name

3-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-1-phenyldihydro-1H-pyrrole-2,5-dione

IUPAC name

3-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-phenylpyrrolidine-25-dione

SMILES

O=C(CC(C1=O)N2CCN(Cc(cc3)cc4c3OCO4)CC2)N1c1ccccc1

InChI

InChI=1S/C22H23N3O4/c26-21-13-18(22(27)25(21)17-4-2-1-3-5-17)24-10-8-23(9-11-24)14-16-6-7-19-20(12-16)29-15-28-19/h1-7,12,18H,8-11,13-15H2/t18-/m0/s1

InChI Key

RYOSPKVDIDJLCV-SFHVURJKSA-N

MDL Number (MFCD)

MFCD00717110

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.288

Distribution Coefficient, logD

0.908

Water Solubility, LogSw

-2.06

Polar Surface Area

52.644

Acid Dissociation Constant (pKa)

16.99

Base Dissociation Constant (pKb)

7.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.36

4514-0301 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4514-0301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4514-0301?
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What is the minimum amount of 4514-0301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4514-0301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4514-0301
  • 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 4514-0301 available by request