F632-0554 Screening compound: N-(3-chloro-4-methoxyphenyl)-1-[(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]pyrrolidine-2-carboxamide

F632-0554 Screening compound: N-(3-chloro-4-methoxyphenyl)-1-[(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]pyrrolidine-2-carboxamide
F632-0554 Screening compound: N-(3-chloro-4-methoxyphenyl)-1-[(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]pyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F632-0554
N-(3-chloro-4-methoxyphenyl)-1-[(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-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

F632-0554

Molecular Formula

C22H24ClN3O6S (C22 H24 ClN3 O6 S)

Compound Name

N-(3-chloro-4-methoxyphenyl)-1-[(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]pyrrolidine-2-carboxamide

IUPAC name

N-(3-chloro-4-methoxyphenyl)-1-[(26-dimethyl-3-oxo-34-dihydro-2H-14-benzoxazin-7-yl)sulfonyl]pyrrolidine-2-carboxamide

SMILES

CC1Oc2cc(S(N(CCC3)C3C(Nc(cc3)cc(Cl)c3OC)=O)(=O)=O)c(C)cc2NC1=O

InChI

InChI=1S/C22H24ClN3O6S/c1-12-9-16-19(32-13(2)21(27)25-16)11-20(12)33(29,30)26-8-4-5-17(26)22(28)24-14-6-7-18(31-3)15(23)10-14/h6-7,9-11,13,17H,4-5,8H2,1-3H3,(H,24,28)(H,25,27)

InChI Key

BNULUHHJCALTHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27180446

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.97

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.753

Distribution Coefficient, logD

2.746

Water Solubility, LogSw

-3.48

Polar Surface Area

96.116

Acid Dissociation Constant (pKa)

9.17

Base Dissociation Constant (pKb)

-1.37

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.40

F632-0554 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F632-0554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F632-0554?
Check Price and Availability of F632-0554, 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 F632-0554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F632-0554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F632-0554
  • 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 F632-0554 available by request