C073-4846 Screening compound: (1S,2R,5S,7R)-N~2~-cyclohexyl-3-cyclopropyl-N~6~-[3-(methylsulfanyl)phenyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

C073-4846 Screening compound: (1S,2R,5S,7R)-N~2~-cyclohexyl-3-cyclopropyl-N~6~-[3-(methylsulfanyl)phenyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
C073-4846 Screening compound: (1S,2R,5S,7R)-N~2~-cyclohexyl-3-cyclopropyl-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 C073-4846
(1S,2R,5S,7R)-N~2~-cyclohexyl-3-cyclopropyl-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

C073-4846

Molecular Formula

C26H31N3O4S (C26 H31 N3 O4 S)

Compound Name

(1S,2R,5S,7R)-N~2~-cyclohexyl-3-cyclopropyl-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

(5S7R)-N2-cyclohexyl-3-cyclopropyl-N6-[3-(methylsulfanyl)phenyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0^{15}]dec-8-ene-26-dicarboxamide

SMILES

CSc1cc(NC(C([C@H]2C(N(C3CC3)C3C(NC4CCCCC4)=O)=O)[C@H]4O[C@@]23C=C4)=O)ccc1

InChI

InChI=1S/C26H31N3O4S/c1-34-18-9-5-8-16(14-18)28-23(30)20-19-12-13-26(33-19)21(20)25(32)29(17-10-11-17)22(26)24(31)27-15-6-3-2-4-7-15/h5,8-9,12-15,17,19-22H,2-4,6-7,10-11H2,1H3,(H,27,31)(H,28,30)/t19-,20?,21-,22?,26-/m0/s1

InChI Key

WDNZMSUKQNKIIT-MLAQOFQXSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.557

Distribution Coefficient, logD

3.555

Water Solubility, LogSw

-3.96

Polar Surface Area

71.350

Acid Dissociation Constant (pKa)

9.65

Base Dissociation Constant (pKb)

1.30

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

57.70

C073-4846 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 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)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • 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 C073-4846 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C073-4846 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-4846
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-4846
  • 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 C073-4846 available by request