C737-0454 Screening compound: 1-[4-(3-CHLOROPHENYL)PIPERAZIN-1-YL]-3-PHENYL-2-(1H-PYRROL-1-YL)PROPAN-1-ONE

C737-0454 Screening compound: 1-[4-(3-CHLOROPHENYL)PIPERAZIN-1-YL]-3-PHENYL-2-(1H-PYRROL-1-YL)PROPAN-1-ONE
C737-0454 Screening compound: 1-[4-(3-CHLOROPHENYL)PIPERAZIN-1-YL]-3-PHENYL-2-(1H-PYRROL-1-YL)PROPAN-1-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound C737-0454
1-[4-(3-CHLOROPHENYL)PIPERAZIN-1-YL]-3-PHENYL-2-(1H-PYRROL-1-YL)PROPAN-1-ONE

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

C737-0454

Molecular Formula

C23H24ClN3O (C23 H24 ClN3 O)

Compound Name

1-[4-(3-CHLOROPHENYL)PIPERAZIN-1-YL]-3-PHENYL-2-(1H-PYRROL-1-YL)PROPAN-1-ONE

IUPAC name

n/a

SMILES

O=C(C(Cc1ccccc1)n1cccc1)N(CC1)CCN1c1cccc(Cl)c1

InChI

InChI=1S/C23H24ClN3O/c24-20-9-6-10-21(18-20)25-13-15-27(16-14-25)23(28)22(26-11-4-5-12-26)17-19-7-2-1-3-8-19/h1-12,18,22H,13-17H2/t22-/m0/s1

InChI Key

KZBWTJQUDSKHBE-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14790173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.92

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.759

Distribution Coefficient, logD

4.759

Water Solubility, LogSw

-5.00

Polar Surface Area

23.670

Acid Dissociation Constant (pKa)

20.59

Base Dissociation Constant (pKb)

2.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

C737-0454 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C737-0454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C737-0454?
Check Price and Availability of C737-0454, 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 C737-0454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C737-0454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C737-0454
  • 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 C737-0454 available by request