F632-0553 Screening compound: N-(3-chloro-4-fluorophenyl)-1-[(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]pyrrolidine-2-carboxamide

F632-0553 Screening compound: N-(3-chloro-4-fluorophenyl)-1-[(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]pyrrolidine-2-carboxamide
F632-0553 Screening compound: N-(3-chloro-4-fluorophenyl)-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 F632-0553
N-(3-chloro-4-fluorophenyl)-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

F632-0553

Molecular Formula

C21H21ClFN3O5S (C21 H21 ClFN3 O5 S)

Compound Name

N-(3-chloro-4-fluorophenyl)-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-fluorophenyl)-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)c3F)=O)(=O)=O)c(C)cc2NC1=O

InChI

InChI=1S/C21H21ClFN3O5S/c1-11-8-16-18(31-12(2)20(27)25-16)10-19(11)32(29,30)26-7-3-4-17(26)21(28)24-13-5-6-15(23)14(22)9-13/h5-6,8-10,12,17H,3-4,7H2,1-2H3,(H,24,28)(H,25,27)

InChI Key

CLTBRUJEYSQSHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27180445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.93

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

2.973

Distribution Coefficient, logD

2.797

Water Solubility, LogSw

-3.48

Polar Surface Area

88.486

Acid Dissociation Constant (pKa)

7.70

Base Dissociation Constant (pKb)

-2.94

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

F632-0553 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 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
  • 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 F632-0553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F632-0553?
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What is the minimum amount of F632-0553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F632-0553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F632-0553
  • 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 F632-0553 available by request