C073-4167 Screening compound: (1R,2S,5R,7S)-N~2~-cyclohexyl-N~6~-(4-methoxyphenyl)-3-[2-(2-methylpiperidino)ethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

C073-4167 Screening compound: (1R,2S,5R,7S)-N~2~-cyclohexyl-N~6~-(4-methoxyphenyl)-3-[2-(2-methylpiperidino)ethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
C073-4167 Screening compound: (1R,2S,5R,7S)-N~2~-cyclohexyl-N~6~-(4-methoxyphenyl)-3-[2-(2-methylpiperidino)ethyl]-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 C073-4167
(1R,2S,5R,7S)-N~2~-cyclohexyl-N~6~-(4-methoxyphenyl)-3-[2-(2-methylpiperidino)ethyl]-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

C073-4167

Molecular Formula

C31H42N4O5 (C31 H42 N4 O5)

Compound Name

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

IUPAC name

(5R7S)-N2-cyclohexyl-N6-(4-methoxyphenyl)-3-[2-(2-methylpiperidin-1-yl)ethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0^{15}]dec-8-ene-26-dicarboxamide

SMILES

CC1N(CCN(C([C@]2([C@H]3C4C(Nc(cc5)ccc5OC)=O)O[C@H]4C=C2)C(NC2CCCCC2)=O)C3=O)CCCC1

InChI

InChI=1S/C31H42N4O5/c1-20-8-6-7-17-34(20)18-19-35-27(29(37)33-21-9-4-3-5-10-21)31-16-15-24(40-31)25(26(31)30(35)38)28(36)32-22-11-13-23(39-2)14-12-22/h11-16,20-21,24-27H,3-10,17-19H2,1-2H3,(H,32,36)(H,33,37)/t20?,24-,25?,26-,27?,31-/m0/s1

InChI Key

PPPNUSSAPSVYSG-DHLDEYISSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

550.7

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.399

Distribution Coefficient, logD

1.821

Water Solubility, LogSw

-3.79

Polar Surface Area

82.752

Acid Dissociation Constant (pKa)

9.51

Base Dissociation Constant (pKb)

8.97

Number of Chiral Centers

6.00

Percent sp3 carbon bonding

64.50

C073-4167 in Drug Discovery

Included in Screening Libraries

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

Cyclic Ugi PPI Library (9586 compounds)

Dark Chemical Matter Library (18430 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)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Pool
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C073-4167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C073-4167?
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What is the minimum amount of C073-4167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-4167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-4167
  • 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 C073-4167 available by request