4413-0039 Screening compound: N-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-4-methyl-N-(2-phenylethyl)benzene-1-sulfonamide

4413-0039 Screening compound: N-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-4-methyl-N-(2-phenylethyl)benzene-1-sulfonamide
4413-0039 Screening compound: N-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-4-methyl-N-(2-phenylethyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4413-0039
N-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-4-methyl-N-(2-phenylethyl)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

4413-0039

Molecular Formula

C27H30FN3O3S (C27 H30 FN3 O3 S)

Compound Name

N-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-4-methyl-N-(2-phenylethyl)benzene-1-sulfonamide

IUPAC name

N-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-4-methyl-N-(2-phenylethyl)benzene-1-sulfonamide

SMILES

Cc(cc1)ccc1S(N(CCc1ccccc1)CC(N(CC1)CCN1c(cccc1)c1F)=O)(=O)=O

InChI

InChI=1S/C27H30FN3O3S/c1-22-11-13-24(14-12-22)35(33,34)31(16-15-23-7-3-2-4-8-23)21-27(32)30-19-17-29(18-20-30)26-10-6-5-9-25(26)28/h2-14H,15-21H2,1H3

InChI Key

VNJJIPYMSHSBEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03159326

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.603

Distribution Coefficient, logD

4.603

Water Solubility, LogSw

-4.36

Polar Surface Area

50.673

Acid Dissociation Constant (pKa)

22.72

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

References: we are preparing a list of scientific research reports with 4413-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4413-0039?
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What is the minimum amount of 4413-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4413-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4413-0039
  • 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 4413-0039 available by request