D112-0013 Screening compound: 1-(benzenesulfonyl)-4-{phenyl[4-(trifluoromethoxy)phenyl]methyl}piperazine

D112-0013 Screening compound: 1-(benzenesulfonyl)-4-{phenyl[4-(trifluoromethoxy)phenyl]methyl}piperazine
D112-0013 Screening compound: 1-(benzenesulfonyl)-4-{phenyl[4-(trifluoromethoxy)phenyl]methyl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D112-0013
1-(benzenesulfonyl)-4-{phenyl[4-(trifluoromethoxy)phenyl]methyl}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

D112-0013

Molecular Formula

C24H23F3N2O3S (C24 H23 F3 N2 O3 S)

Compound Name

1-(benzenesulfonyl)-4-{phenyl[4-(trifluoromethoxy)phenyl]methyl}piperazine

IUPAC name

1-(benzenesulfonyl)-4-{phenyl[4-(trifluoromethoxy)phenyl]methyl}piperazine

SMILES

O=S(c1ccccc1)(N(CC1)CCN1C(c1ccccc1)c(cc1)ccc1OC(F)(F)F)=O

InChI

InChI=1S/C24H23F3N2O3S/c25-24(26,27)32-21-13-11-20(12-14-21)23(19-7-3-1-4-8-19)28-15-17-29(18-16-28)33(30,31)22-9-5-2-6-10-22/h1-14,23H,15-18H2/t23-/m0/s1

InChI Key

OGVZEDNOOHLPGL-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14811867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.636

Distribution Coefficient, logD

5.635

Water Solubility, LogSw

-5.96

Polar Surface Area

40.447

Acid Dissociation Constant (pKa)

25.05

Base Dissociation Constant (pKb)

4.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

D112-0013 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D112-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D112-0013?
Check Price and Availability of D112-0013, 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 D112-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D112-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D112-0013
  • 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 D112-0013 available by request