F916-0454 Screening compound: 4-ethoxy-N~1~-(3-methoxybenzyl)-N~1~-(2-oxo-2-piperazinoethyl)-1-benzenesulfonamide

F916-0454 Screening compound: 4-ethoxy-N~1~-(3-methoxybenzyl)-N~1~-(2-oxo-2-piperazinoethyl)-1-benzenesulfonamide
F916-0454 Screening compound: 4-ethoxy-N~1~-(3-methoxybenzyl)-N~1~-(2-oxo-2-piperazinoethyl)-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F916-0454
4-ethoxy-N~1~-(3-methoxybenzyl)-N~1~-(2-oxo-2-piperazinoethyl)-1-benzenesulfonamide

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

F916-0454

Molecular Formula

C22H29N3O5S (C22 H29 N3 O5 S)

Compound Name

4-ethoxy-N~1~-(3-methoxybenzyl)-N~1~-(2-oxo-2-piperazinoethyl)-1-benzenesulfonamide

IUPAC name

4-ethoxy-N-[(3-methoxyphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide

SMILES

CCOc(cc1)ccc1S(N(CC(N1CCNCC1)=O)Cc1cc(OC)ccc1)(=O)=O

InChI

InChI=1S/C22H29N3O5S/c1-3-30-19-7-9-21(10-8-19)31(27,28)25(16-18-5-4-6-20(15-18)29-2)17-22(26)24-13-11-23-12-14-24/h4-10,15,23H,3,11-14,16-17H2,1-2H3

InChI Key

NYDSDHHJZCOMPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14971484

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

447.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.855

Distribution Coefficient, logD

1.296

Water Solubility, LogSw

-2.80

Polar Surface Area

74.363

Acid Dissociation Constant (pKa)

21.02

Base Dissociation Constant (pKb)

7.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.91

F916-0454 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with F916-0454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F916-0454?
Check Price and Availability of F916-0454, 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 F916-0454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F916-0454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F916-0454
  • 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 F916-0454 available by request