F632-0466 Screening compound: 2,6-dimethyl-7-{[2-(4-phenylpiperazine-1-carbonyl)pyrrolidin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

F632-0466 Screening compound: 2,6-dimethyl-7-{[2-(4-phenylpiperazine-1-carbonyl)pyrrolidin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one
F632-0466 Screening compound: 2,6-dimethyl-7-{[2-(4-phenylpiperazine-1-carbonyl)pyrrolidin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F632-0466
2,6-dimethyl-7-{[2-(4-phenylpiperazine-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

F632-0466

Molecular Formula

C25H30N4O5S (C25 H30 N4 O5 S)

Compound Name

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

IUPAC name

26-dimethyl-7-{[2-(4-phenylpiperazine-1-carbonyl)pyrrolidin-1-yl]sulfonyl}-34-dihydro-2H-14-benzoxazin-3-one

SMILES

CC1Oc2cc(S(N(CCC3)C3C(N(CC3)CCN3c3ccccc3)=O)(=O)=O)c(C)cc2NC1=O

InChI

InChI=1S/C25H30N4O5S/c1-17-15-20-22(34-18(2)24(30)26-20)16-23(17)35(32,33)29-10-6-9-21(29)25(31)28-13-11-27(12-14-28)19-7-4-3-5-8-19/h3-5,7-8,15-16,18,21H,6,9-14H2,1-2H3,(H,26,30)

InChI Key

SETXBFCNFVNUFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27180425

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.6

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

2.216

Distribution Coefficient, logD

2.215

Water Solubility, LogSw

-2.89

Polar Surface Area

85.303

Acid Dissociation Constant (pKa)

10.22

Base Dissociation Constant (pKb)

5.95

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.00

F632-0466 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 F632-0466 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F632-0466?
Check Price and Availability of F632-0466, 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 F632-0466 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F632-0466
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F632-0466
  • 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 F632-0466 available by request