8009-7953 Screening compound: ethyl 4-(2,5-dioxo-3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}pyrrolidin-1-yl)benzoate

8009-7953 Screening compound: ethyl 4-(2,5-dioxo-3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}pyrrolidin-1-yl)benzoate
8009-7953 Screening compound: ethyl 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 8009-7953
ethyl 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

8009-7953

Molecular Formula

C26H29N3O4 (C26 H29 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C26H29N3O4/c1-2-33-26(32)21-10-12-22(13-11-21)29-24(30)19-23(25(29)31)28-17-15-27(16-18-28)14-6-9-20-7-4-3-5-8-20/h3-13,23H,2,14-19H2,1H3/t23-/m0/s1

InChI Key

JGSSJLAZAZTHQB-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD01820362

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.937

Distribution Coefficient, logD

2.933

Water Solubility, LogSw

-3.00

Polar Surface Area

56.260

Acid Dissociation Constant (pKa)

16.99

Base Dissociation Constant (pKb)

5.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

8009-7953 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8009-7953 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-7953?
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What is the minimum amount of 8009-7953 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-7953
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-7953
  • 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 8009-7953 available by request