F822-0062 Screening compound: 6-{[2-(2,3-dihydro-1H-indol-1-ylcarbonyl)-1-pyrrolidinyl]sulfonyl}-2H-1,4-benzoxazin-3(4H)-one

F822-0062 Screening compound: 6-{[2-(2,3-dihydro-1H-indol-1-ylcarbonyl)-1-pyrrolidinyl]sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
F822-0062 Screening compound: 6-{[2-(2,3-dihydro-1H-indol-1-ylcarbonyl)-1-pyrrolidinyl]sulfonyl}-2H-1,4-benzoxazin-3(4H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F822-0062
6-{[2-(2,3-dihydro-1H-indol-1-ylcarbonyl)-1-pyrrolidinyl]sulfonyl}-2H-1,4-benzoxazin-3(4H)-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

F822-0062

Molecular Formula

C21H21N3O5S (C21 H21 N3 O5 S)

Compound Name

6-{[2-(2,3-dihydro-1H-indol-1-ylcarbonyl)-1-pyrrolidinyl]sulfonyl}-2H-1,4-benzoxazin-3(4H)-one

IUPAC name

6-{[2-(23-dihydro-1H-indole-1-carbonyl)pyrrolidin-1-yl]sulfonyl}-34-dihydro-2H-14-benzoxazin-3-one

SMILES

O=C(C(CCC1)N1S(c(cc1)cc(N2)c1OCC2=O)(=O)=O)N(CC1)c2c1cccc2

InChI

InChI=1S/C21H21N3O5S/c25-20-13-29-19-8-7-15(12-16(19)22-20)30(27,28)24-10-3-6-18(24)21(26)23-11-9-14-4-1-2-5-17(14)23/h1-2,4-5,7-8,12,18H,3,6,9-11,13H2,(H,22,25)/t18-/m0/s1

InChI Key

DEBMCZXPNZSALP-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27195841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.563

Distribution Coefficient, logD

1.563

Water Solubility, LogSw

-2.64

Polar Surface Area

81.735

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

F822-0062 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Targeted Diversity Library (40567 compounds)

Anti-HIV1 Library (19540 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F822-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F822-0062?
Check Price and Availability of F822-0062, 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 F822-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F822-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F822-0062
  • 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 F822-0062 available by request