5408-4100 Screening compound: 1-(2-fluorophenyl)-4-[1-(4-methoxybenzenesulfonyl)piperidine-4-carbonyl]piperazine

5408-4100 Screening compound: 1-(2-fluorophenyl)-4-[1-(4-methoxybenzenesulfonyl)piperidine-4-carbonyl]piperazine
5408-4100 Screening compound: 1-(2-fluorophenyl)-4-[1-(4-methoxybenzenesulfonyl)piperidine-4-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5408-4100
1-(2-fluorophenyl)-4-[1-(4-methoxybenzenesulfonyl)piperidine-4-carbonyl]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

5408-4100

Molecular Formula

C23H28FN3O4S (C23 H28 FN3 O4 S)

Compound Name

1-(2-fluorophenyl)-4-[1-(4-methoxybenzenesulfonyl)piperidine-4-carbonyl]piperazine

IUPAC name

1-(2-fluorophenyl)-4-[1-(4-methoxybenzenesulfonyl)piperidine-4-carbonyl]piperazine

SMILES

COc(cc1)ccc1S(N(CC1)CCC1C(N(CC1)CCN1c(cccc1)c1F)=O)(=O)=O

InChI

InChI=1S/C23H28FN3O4S/c1-31-19-6-8-20(9-7-19)32(29,30)27-12-10-18(11-13-27)23(28)26-16-14-25(15-17-26)22-5-3-2-4-21(22)24/h2-9,18H,10-17H2,1H3

InChI Key

AAEISRDXLODAGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03710844

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.144

Distribution Coefficient, logD

3.144

Water Solubility, LogSw

-3.48

Polar Surface Area

59.101

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

4.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

5408-4100 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5408-4100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5408-4100?
Check Price and Availability of 5408-4100, 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 5408-4100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5408-4100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5408-4100
  • 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 5408-4100 available by request