F632-0487 Screening compound: N-cyclohexyl-1-[(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-methylpyrrolidine-2-carboxamide

F632-0487 Screening compound: N-cyclohexyl-1-[(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-methylpyrrolidine-2-carboxamide
F632-0487 Screening compound: N-cyclohexyl-1-[(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-methylpyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F632-0487
N-cyclohexyl-1-[(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-methylpyrrolidine-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

F632-0487

Molecular Formula

C22H31N3O5S (C22 H31 N3 O5 S)

Compound Name

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

IUPAC name

N-cyclohexyl-1-[(26-dimethyl-3-oxo-34-dihydro-2H-14-benzoxazin-7-yl)sulfonyl]-N-methylpyrrolidine-2-carboxamide

SMILES

CC1Oc2cc(S(N(CCC3)C3C(N(C)C3CCCCC3)=O)(=O)=O)c(C)cc2NC1=O

InChI

InChI=1S/C22H31N3O5S/c1-14-12-17-19(30-15(2)21(26)23-17)13-20(14)31(28,29)25-11-7-10-18(25)22(27)24(3)16-8-5-4-6-9-16/h12-13,15-16,18H,4-11H2,1-3H3,(H,23,26)

InChI Key

YWLRSEZBFBWHIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27180433

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.296

Distribution Coefficient, logD

2.295

Water Solubility, LogSw

-2.80

Polar Surface Area

80.597

Acid Dissociation Constant (pKa)

10.22

Base Dissociation Constant (pKb)

-0.33

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

63.60

F632-0487 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 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
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with F632-0487 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F632-0487?
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What is the minimum amount of F632-0487 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F632-0487
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F632-0487
  • 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 F632-0487 available by request