F822-0177 Screening compound: 6-({2-[4-(2-FLUOROPHENYL)PIPERAZINE-1-CARBONYL]PYRROLIDIN-1-YL}SULFONYL)-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-3-ONE

F822-0177 Screening compound: 6-({2-[4-(2-FLUOROPHENYL)PIPERAZINE-1-CARBONYL]PYRROLIDIN-1-YL}SULFONYL)-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-3-ONE
F822-0177 Screening compound: 6-({2-[4-(2-FLUOROPHENYL)PIPERAZINE-1-CARBONYL]PYRROLIDIN-1-YL}SULFONYL)-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-3-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound F822-0177
6-({2-[4-(2-FLUOROPHENYL)PIPERAZINE-1-CARBONYL]PYRROLIDIN-1-YL}SULFONYL)-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-3-ONE

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

F822-0177

Molecular Formula

C23H25FN4O5S (C23 H25 FN4 O5 S)

Compound Name

6-({2-[4-(2-FLUOROPHENYL)PIPERAZINE-1-CARBONYL]PYRROLIDIN-1-YL}SULFONYL)-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-3-ONE

IUPAC name

n/a

SMILES

O=C(C(CCC1)N1S(c(cc1)cc(N2)c1OCC2=O)(=O)=O)N(CC1)CCN1c(cccc1)c1F

InChI

InChI=1S/C23H25FN4O5S/c24-17-4-1-2-5-19(17)26-10-12-27(13-11-26)23(30)20-6-3-9-28(20)34(31,32)16-7-8-21-18(14-16)25-22(29)15-33-21/h1-2,4-5,7-8,14,20H,3,6,9-13,15H2,(H,25,29)/t20-/m0/s1

InChI Key

RQSMPXYYVONTRJ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27195866

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.591

Distribution Coefficient, logD

1.591

Water Solubility, LogSw

-2.71

Polar Surface Area

85.664

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

2.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

F822-0177 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F822-0177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F822-0177?
Check Price and Availability of F822-0177, 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 F822-0177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F822-0177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F822-0177
  • 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 F822-0177 available by request