4413-0073 Screening compound: N-cyclohexyl-4-fluoro-N-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}benzene-1-sulfonamide

4413-0073 Screening compound: N-cyclohexyl-4-fluoro-N-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}benzene-1-sulfonamide
4413-0073 Screening compound: N-cyclohexyl-4-fluoro-N-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4413-0073
N-cyclohexyl-4-fluoro-N-{2-[4-(2-fluorophenyl)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

4413-0073

Molecular Formula

C24H29F2N3O3S (C24 H29 F2 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN(C1CCCCC1)S(c(cc1)ccc1F)(=O)=O)N(CC1)CCN1c(cccc1)c1F

InChI

InChI=1S/C24H29F2N3O3S/c25-19-10-12-21(13-11-19)33(31,32)29(20-6-2-1-3-7-20)18-24(30)28-16-14-27(15-17-28)23-9-5-4-8-22(23)26/h4-5,8-13,20H,1-3,6-7,14-18H2

InChI Key

FNKLILWQXXEUKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03083207

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.219

Distribution Coefficient, logD

4.219

Water Solubility, LogSw

-4.14

Polar Surface Area

50.977

Acid Dissociation Constant (pKa)

23.04

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

4413-0073 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Immune system

References: we are preparing a list of scientific research reports with 4413-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4413-0073?
Check Price and Availability of 4413-0073, 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 4413-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4413-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4413-0073
  • 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 4413-0073 available by request