F632-0455 Screening compound: 7-{[2-(2,3-dihydro-1H-indole-1-carbonyl)pyrrolidin-1-yl]sulfonyl}-2,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-3-one

F632-0455 Screening compound: 7-{[2-(2,3-dihydro-1H-indole-1-carbonyl)pyrrolidin-1-yl]sulfonyl}-2,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-3-one
F632-0455 Screening compound: 7-{[2-(2,3-dihydro-1H-indole-1-carbonyl)pyrrolidin-1-yl]sulfonyl}-2,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F632-0455
7-{[2-(2,3-dihydro-1H-indole-1-carbonyl)pyrrolidin-1-yl]sulfonyl}-2,6-dimethyl-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

F632-0455

Molecular Formula

C23H25N3O5S (C23 H25 N3 O5 S)

Compound Name

7-{[2-(2,3-dihydro-1H-indole-1-carbonyl)pyrrolidin-1-yl]sulfonyl}-2,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

7-{[2-(23-dihydro-1H-indole-1-carbonyl)pyrrolidin-1-yl]sulfonyl}-26-dimethyl-34-dihydro-2H-14-benzoxazin-3-one

SMILES

CC1Oc2cc(S(N(CCC3)C3C(N(CC3)c4c3cccc4)=O)(=O)=O)c(C)cc2NC1=O

InChI

InChI=1S/C23H25N3O5S/c1-14-12-17-20(31-15(2)22(27)24-17)13-21(14)32(29,30)26-10-5-8-19(26)23(28)25-11-9-16-6-3-4-7-18(16)25/h3-4,6-7,12-13,15,19H,5,8-11H2,1-2H3,(H,24,27)

InChI Key

LIZLHSZSVPODBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27180422

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.53

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

2.366

Distribution Coefficient, logD

2.365

Water Solubility, LogSw

-2.91

Polar Surface Area

81.074

Acid Dissociation Constant (pKa)

10.22

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.10

F632-0455 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • 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 F632-0455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F632-0455?
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What is the minimum amount of F632-0455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F632-0455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F632-0455
  • 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 F632-0455 available by request