8013-2327 Screening compound: 1-(4-chloro-3-methoxybenzenesulfonyl)-4-(2-fluorophenyl)piperazine

8013-2327 Screening compound: 1-(4-chloro-3-methoxybenzenesulfonyl)-4-(2-fluorophenyl)piperazine
8013-2327 Screening compound: 1-(4-chloro-3-methoxybenzenesulfonyl)-4-(2-fluorophenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2327
1-(4-chloro-3-methoxybenzenesulfonyl)-4-(2-fluorophenyl)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

8013-2327

Molecular Formula

C17H18ClFN2O3S (C17 H18 ClFN2 O3 S)

Compound Name

1-(4-chloro-3-methoxybenzenesulfonyl)-4-(2-fluorophenyl)piperazine

IUPAC name

1-(4-chloro-3-methoxybenzenesulfonyl)-4-(2-fluorophenyl)piperazine

SMILES

COc(cc(cc1)S(N(CC2)CCN2c(cccc2)c2F)(=O)=O)c1Cl

InChI

InChI=1S/C17H18ClFN2O3S/c1-24-17-12-13(6-7-14(17)18)25(22,23)21-10-8-20(9-11-21)16-5-3-2-4-15(16)19/h2-7,12H,8-11H2,1H3

InChI Key

JVSXICJXNNWWSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03763895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.657

Distribution Coefficient, logD

3.657

Water Solubility, LogSw

-4.01

Polar Surface Area

42.539

Acid Dissociation Constant (pKa)

27.94

Base Dissociation Constant (pKb)

4.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

8013-2327 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 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:
  • Cancer

References: we are preparing a list of scientific research reports with 8013-2327 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2327?
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What is the minimum amount of 8013-2327 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2327
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2327
  • 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 8013-2327 available by request