5593-1932 Screening compound: butyl 4-(2,5-dioxo-3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}pyrrolidin-1-yl)benzoate

5593-1932 Screening compound: butyl 4-(2,5-dioxo-3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}pyrrolidin-1-yl)benzoate
5593-1932 Screening compound: butyl 4-(2,5-dioxo-3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}pyrrolidin-1-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5593-1932
butyl 4-(2,5-dioxo-3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}pyrrolidin-1-yl)benzoate

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

5593-1932

Molecular Formula

C28H33N3O4 (C28 H33 N3 O4)

Compound Name

butyl 4-(2,5-dioxo-3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}pyrrolidin-1-yl)benzoate

IUPAC name

butyl 4-(25-dioxo-3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}pyrrolidin-1-yl)benzoate

SMILES

CCCCOC(c(cc1)ccc1N(C(CC1N2CCN(C/C=C/c3ccccc3)CC2)=O)C1=O)=O

InChI

InChI=1S/C28H33N3O4/c1-2-3-20-35-28(34)23-11-13-24(14-12-23)31-26(32)21-25(27(31)33)30-18-16-29(17-19-30)15-7-10-22-8-5-4-6-9-22/h4-14,25H,2-3,15-21H2,1H3/t25-/m0/s1

InChI Key

FREILWSEABWCLG-VWLOTQADSA-N

MDL Number (MFCD)

MFCD02153460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.922

Distribution Coefficient, logD

3.917

Water Solubility, LogSw

-3.97

Polar Surface Area

56.555

Acid Dissociation Constant (pKa)

16.99

Base Dissociation Constant (pKb)

5.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.30

5593-1932 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 5593-1932 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5593-1932?
Check Price and Availability of 5593-1932, 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 5593-1932 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5593-1932
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5593-1932
  • 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 5593-1932 available by request