F822-0091 Screening compound: N-(3-chloro-4-methylphenyl)-1-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]pyrrolidine-2-carboxamide

F822-0091 Screening compound: N-(3-chloro-4-methylphenyl)-1-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]pyrrolidine-2-carboxamide
F822-0091 Screening compound: N-(3-chloro-4-methylphenyl)-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 F822-0091
N-(3-chloro-4-methylphenyl)-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

F822-0091

Molecular Formula

C20H20ClN3O5S (C20 H20 ClN3 O5 S)

Compound Name

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

IUPAC name

N-(3-chloro-4-methylphenyl)-1-[(3-oxo-34-dihydro-2H-14-benzoxazin-6-yl)sulfonyl]pyrrolidine-2-carboxamide

SMILES

Cc(ccc(NC(C(CCC1)N1S(c(cc1)cc(N2)c1OCC2=O)(=O)=O)=O)c1)c1Cl

InChI

InChI=1S/C20H20ClN3O5S/c1-12-4-5-13(9-15(12)21)22-20(26)17-3-2-8-24(17)30(27,28)14-6-7-18-16(10-14)23-19(25)11-29-18/h4-7,9-10,17H,2-3,8,11H2,1H3,(H,22,26)(H,23,25)/t17-/m0/s1

InChI Key

YTXJYOPPFPVLTO-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27195850

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.91

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

2.830

Distribution Coefficient, logD

2.825

Water Solubility, LogSw

-3.46

Polar Surface Area

89.148

Acid Dissociation Constant (pKa)

9.38

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

F822-0091 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Antibacterial Compounds Library (13827 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F822-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F822-0091?
Check Price and Availability of F822-0091, 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 F822-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F822-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F822-0091
  • 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 F822-0091 available by request