F822-0030 Screening compound: N-(3-chlorophenyl)-1-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]pyrrolidine-2-carboxamide

F822-0030 Screening compound: N-(3-chlorophenyl)-1-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]pyrrolidine-2-carboxamide
F822-0030 Screening compound: N-(3-chlorophenyl)-1-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]pyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F822-0030
N-(3-chlorophenyl)-1-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]pyrrolidine-2-carboxamide

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

F822-0030

Molecular Formula

C19H18ClN3O5S (C19 H18 ClN3 O5 S)

Compound Name

N-(3-chlorophenyl)-1-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]pyrrolidine-2-carboxamide

IUPAC name

N-(3-chlorophenyl)-1-[(3-oxo-34-dihydro-2H-14-benzoxazin-6-yl)sulfonyl]pyrrolidine-2-carboxamide

SMILES

O=C(C(CCC1)N1S(c(cc1)cc(N2)c1OCC2=O)(=O)=O)Nc1cccc(Cl)c1

InChI

InChI=1S/C19H18ClN3O5S/c20-12-3-1-4-13(9-12)21-19(25)16-5-2-8-23(16)29(26,27)14-6-7-17-15(10-14)22-18(24)11-28-17/h1,3-4,6-7,9-10,16H,2,5,8,11H2,(H,21,25)(H,22,24)/t16-/m0/s1

InChI Key

WGIQWMVVJBRRBE-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27195832

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.89

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.193

Distribution Coefficient, logD

2.189

Water Solubility, LogSw

-3.21

Polar Surface Area

89.148

Acid Dissociation Constant (pKa)

9.50

Base Dissociation Constant (pKb)

-2.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

F822-0030 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Anti-HIV1 Library (19540 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F822-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F822-0030?
Check Price and Availability of F822-0030, 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 F822-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F822-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F822-0030
  • 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 F822-0030 available by request