4092-0147 Screening compound: 1-(3-fluorobenzoyl)-4-(4-methylbenzenesulfonyl)piperazine

4092-0147 Screening compound: 1-(3-fluorobenzoyl)-4-(4-methylbenzenesulfonyl)piperazine
4092-0147 Screening compound: 1-(3-fluorobenzoyl)-4-(4-methylbenzenesulfonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4092-0147
1-(3-fluorobenzoyl)-4-(4-methylbenzenesulfonyl)piperazine

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

4092-0147

Molecular Formula

C18H19FN2O3S (C18 H19 FN2 O3 S)

Compound Name

1-(3-fluorobenzoyl)-4-(4-methylbenzenesulfonyl)piperazine

IUPAC name

1-(3-fluorobenzoyl)-4-(4-methylbenzenesulfonyl)piperazine

SMILES

Cc(cc1)ccc1S(N(CC1)CCN1C(c1cc(F)ccc1)=O)(=O)=O

InChI

InChI=1S/C18H19FN2O3S/c1-14-5-7-17(8-6-14)25(23,24)21-11-9-20(10-12-21)18(22)15-3-2-4-16(19)13-15/h2-8,13H,9-12H2,1H3

InChI Key

UKVXLVGBQKDRGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02211935

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.627

Distribution Coefficient, logD

2.627

Water Solubility, LogSw

-2.91

Polar Surface Area

48.406

Acid Dissociation Constant (pKa)

28.25

Base Dissociation Constant (pKb)

-5.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

4092-0147 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 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 4092-0147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4092-0147?
Check Price and Availability of 4092-0147, 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 4092-0147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4092-0147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4092-0147
  • 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 4092-0147 available by request