5641-0892 Screening compound: N-benzyl-4-fluoro-N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}benzene-1-sulfonamide

5641-0892 Screening compound: N-benzyl-4-fluoro-N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}benzene-1-sulfonamide
5641-0892 Screening compound: N-benzyl-4-fluoro-N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5641-0892
N-benzyl-4-fluoro-N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}benzene-1-sulfonamide

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

5641-0892

Molecular Formula

C26H28FN3O4S (C26 H28 FN3 O4 S)

Compound Name

N-benzyl-4-fluoro-N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}benzene-1-sulfonamide

IUPAC name

N-benzyl-4-fluoro-N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}benzene-1-sulfonamide

SMILES

COc(cccc1)c1N(CC1)CCN1C(CN(Cc1ccccc1)S(c(cc1)ccc1F)(=O)=O)=O

InChI

InChI=1S/C26H28FN3O4S/c1-34-25-10-6-5-9-24(25)28-15-17-29(18-16-28)26(31)20-30(19-21-7-3-2-4-8-21)35(32,33)23-13-11-22(27)12-14-23/h2-14H,15-20H2,1H3

InChI Key

SNZAMAYHCBTZMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03159316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.804

Distribution Coefficient, logD

3.803

Water Solubility, LogSw

-3.99

Polar Surface Area

58.325

Acid Dissociation Constant (pKa)

21.02

Base Dissociation Constant (pKb)

5.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

5641-0892 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral HBV Library (10007 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with 5641-0892 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5641-0892?
Check Price and Availability of 5641-0892, 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 5641-0892 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5641-0892
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5641-0892
  • 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 5641-0892 available by request