F632-0271 Screening compound: N-ethyl-N-(4-methoxyphenyl)-1-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]pyrrolidine-2-carboxamide

F632-0271 Screening compound: N-ethyl-N-(4-methoxyphenyl)-1-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]pyrrolidine-2-carboxamide
F632-0271 Screening compound: N-ethyl-N-(4-methoxyphenyl)-1-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]pyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F632-0271
N-ethyl-N-(4-methoxyphenyl)-1-[(6-methyl-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

F632-0271

Molecular Formula

C23H27N3O6S (C23 H27 N3 O6 S)

Compound Name

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

IUPAC name

N-ethyl-N-(4-methoxyphenyl)-1-[(6-methyl-3-oxo-34-dihydro-2H-14-benzoxazin-7-yl)sulfonyl]pyrrolidine-2-carboxamide

SMILES

CCN(C(C(CCC1)N1S(c(cc1OC2)c(C)cc1NC2=O)(=O)=O)=O)c(cc1)ccc1OC

InChI

InChI=1S/C23H27N3O6S/c1-4-25(16-7-9-17(31-3)10-8-16)23(28)19-6-5-11-26(19)33(29,30)21-13-20-18(12-15(21)2)24-22(27)14-32-20/h7-10,12-13,19H,4-6,11,14H2,1-3H3,(H,24,27)/t19-/m0/s1

InChI Key

GXDKUHRVEUUBOR-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27180407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.119

Distribution Coefficient, logD

2.119

Water Solubility, LogSw

-2.96

Polar Surface Area

88.948

Acid Dissociation Constant (pKa)

10.30

Base Dissociation Constant (pKb)

-0.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

F632-0271 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)

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 F632-0271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F632-0271?
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What is the minimum amount of F632-0271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F632-0271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F632-0271
  • 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 F632-0271 available by request