C073-4832 Screening compound: (1R,2S,5R,7S)-3-(4-chlorobenzyl)-N~2~-cyclohexyl-N~6~-[3-(methylsulfanyl)phenyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

C073-4832 Screening compound: (1R,2S,5R,7S)-3-(4-chlorobenzyl)-N~2~-cyclohexyl-N~6~-[3-(methylsulfanyl)phenyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
C073-4832 Screening compound: (1R,2S,5R,7S)-3-(4-chlorobenzyl)-N~2~-cyclohexyl-N~6~-[3-(methylsulfanyl)phenyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C073-4832
(1R,2S,5R,7S)-3-(4-chlorobenzyl)-N~2~-cyclohexyl-N~6~-[3-(methylsulfanyl)phenyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

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

C073-4832

Molecular Formula

C30H32ClN3O4S (C30 H32 ClN3 O4 S)

Compound Name

(1R,2S,5R,7S)-3-(4-chlorobenzyl)-N~2~-cyclohexyl-N~6~-[3-(methylsulfanyl)phenyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

IUPAC name

(5R7S)-3-[(4-chlorophenyl)methyl]-N2-cyclohexyl-N6-[3-(methylsulfanyl)phenyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0^{15}]dec-8-ene-26-dicarboxamide

SMILES

CSc1cccc(NC(C([C@H]2C(N(Cc(cc3)ccc3Cl)C3C(NC4CCCCC4)=O)=O)[C@H]4O[C@]23C=C4)=O)c1

InChI

InChI=1S/C30H32ClN3O4S/c1-39-22-9-5-8-21(16-22)33-27(35)24-23-14-15-30(38-23)25(24)29(37)34(17-18-10-12-19(31)13-11-18)26(30)28(36)32-20-6-3-2-4-7-20/h5,8-16,20,23-26H,2-4,6-7,17H2,1H3,(H,32,36)(H,33,35)/t23-,24?,25+,26?,30-/m0/s1

InChI Key

MEJZVYXRXAQCCT-MKPILFOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

566.12

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.898

Distribution Coefficient, logD

4.896

Water Solubility, LogSw

-4.94

Polar Surface Area

71.797

Acid Dissociation Constant (pKa)

9.65

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

43.30

C073-4832 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Cyclic Ugi PPI Library (9586 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with C073-4832 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-4832
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  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-4832
  • 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 C073-4832 available by request