C856-0282 Screening compound: 2-(2-benzoyl-1H-pyrrol-1-yl)-1-[4-(4-fluorophenyl)piperazino]-1-ethanone

C856-0282 Screening compound: 2-(2-benzoyl-1H-pyrrol-1-yl)-1-[4-(4-fluorophenyl)piperazino]-1-ethanone
C856-0282 Screening compound: 2-(2-benzoyl-1H-pyrrol-1-yl)-1-[4-(4-fluorophenyl)piperazino]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound C856-0282
2-(2-benzoyl-1H-pyrrol-1-yl)-1-[4-(4-fluorophenyl)piperazino]-1-ethanone

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

C856-0282

Molecular Formula

C23H22FN3O2 (C23 H22 FN3 O2)

Compound Name

2-(2-benzoyl-1H-pyrrol-1-yl)-1-[4-(4-fluorophenyl)piperazino]-1-ethanone

IUPAC name

n/a

SMILES

O=C(Cn1c(C(c2ccccc2)=O)ccc1)N(CC1)CCN1c(cc1)ccc1F

InChI

InChI=1S/C23H22FN3O2/c24-19-8-10-20(11-9-19)25-13-15-26(16-14-25)22(28)17-27-12-4-7-21(27)23(29)18-5-2-1-3-6-18/h1-12H,13-17H2

InChI Key

IDIFJTYHWBVNOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14800828

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.649

Distribution Coefficient, logD

3.649

Water Solubility, LogSw

-3.75

Polar Surface Area

34.948

Acid Dissociation Constant (pKa)

22.39

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

C856-0282 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C856-0282 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C856-0282?
Check Price and Availability of C856-0282, 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 C856-0282 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C856-0282
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C856-0282
  • 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 C856-0282 available by request