F916-0506 Screening compound: N-[(1-ethyl-2-pyrrolidinyl)methyl]-4-methoxy-N-(2-oxo-2-piperazinoethyl)-1-benzenesulfonamide

F916-0506 Screening compound: N-[(1-ethyl-2-pyrrolidinyl)methyl]-4-methoxy-N-(2-oxo-2-piperazinoethyl)-1-benzenesulfonamide
F916-0506 Screening compound: N-[(1-ethyl-2-pyrrolidinyl)methyl]-4-methoxy-N-(2-oxo-2-piperazinoethyl)-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F916-0506
N-[(1-ethyl-2-pyrrolidinyl)methyl]-4-methoxy-N-(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

F916-0506

Molecular Formula

C20H32N4O4S (C20 H32 N4 O4 S)

Compound Name

N-[(1-ethyl-2-pyrrolidinyl)methyl]-4-methoxy-N-(2-oxo-2-piperazinoethyl)-1-benzenesulfonamide

IUPAC name

N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxy-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide

SMILES

CCN1C(CN(CC(N2CCNCC2)=O)S(c(cc2)ccc2OC)(=O)=O)CCC1

InChI

InChI=1S/C20H32N4O4S/c1-3-22-12-4-5-17(22)15-24(16-20(25)23-13-10-21-11-14-23)29(26,27)19-8-6-18(28-2)7-9-19/h6-9,17,21H,3-5,10-16H2,1-2H3/t17-/m1/s1

InChI Key

PAOPTKCHURJZJC-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD27204128

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

424.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.274

Distribution Coefficient, logD

-0.285

Water Solubility, LogSw

-2.41

Polar Surface Area

71.146

Acid Dissociation Constant (pKa)

23.02

Base Dissociation Constant (pKb)

7.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.00

F916-0506 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F916-0506 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F916-0506?
Check Price and Availability of F916-0506, 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 F916-0506 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F916-0506
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F916-0506
  • 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 F916-0506 available by request