4413-0117 Screening compound: N-benzyl-N-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-4-methoxybenzene-1-sulfonamide

4413-0117 Screening compound: N-benzyl-N-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-4-methoxybenzene-1-sulfonamide
4413-0117 Screening compound: N-benzyl-N-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-4-methoxybenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4413-0117
N-benzyl-N-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-4-methoxybenzene-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

4413-0117

Molecular Formula

C26H28FN3O4S (C26 H28 FN3 O4 S)

Compound Name

N-benzyl-N-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-4-methoxybenzene-1-sulfonamide

IUPAC name

N-benzyl-N-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-4-methoxybenzene-1-sulfonamide

SMILES

COc(cc1)ccc1S(N(CC(N(CC1)CCN1c(cccc1)c1F)=O)Cc1ccccc1)(=O)=O

InChI

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

InChI Key

ZLVWVEOQFKXQCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03083217

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

3.935

Distribution Coefficient, logD

3.935

Water Solubility, LogSw

-4.02

Polar Surface Area

58.238

Acid Dissociation Constant (pKa)

21.02

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

4413-0117 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4413-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4413-0117?
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What is the minimum amount of 4413-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4413-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4413-0117
  • 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 4413-0117 available by request