C073-4520 Screening compound: (1S,2R,5S,7R)-3-[2-(1-azepanyl)ethyl]-N~2~-cyclohexyl-4-oxo-N~6~-(4-phenoxyphenyl)-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

C073-4520 Screening compound: (1S,2R,5S,7R)-3-[2-(1-azepanyl)ethyl]-N~2~-cyclohexyl-4-oxo-N~6~-(4-phenoxyphenyl)-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
C073-4520 Screening compound: (1S,2R,5S,7R)-3-[2-(1-azepanyl)ethyl]-N~2~-cyclohexyl-4-oxo-N~6~-(4-phenoxyphenyl)-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 C073-4520
(1S,2R,5S,7R)-3-[2-(1-azepanyl)ethyl]-N~2~-cyclohexyl-4-oxo-N~6~-(4-phenoxyphenyl)-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

C073-4520

Molecular Formula

C36H44N4O5 (C36 H44 N4 O5)

Compound Name

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

IUPAC name

(5S7R)-3-[2-(azepan-1-yl)ethyl]-N2-cyclohexyl-4-oxo-N6-(4-phenoxyphenyl)-10-oxa-3-azatricyclo[5.2.1.0^{15}]dec-8-ene-26-dicarboxamide

SMILES

O=C(C([C@H]1C(N(CCN2CCCCCC2)C2C(NC3CCCCC3)=O)=O)[C@H]3O[C@@]12C=C3)Nc(cc1)ccc1Oc1ccccc1

InChI

InChI=1S/C36H44N4O5/c41-33(37-26-15-17-28(18-16-26)44-27-13-7-4-8-14-27)30-29-19-20-36(45-29)31(30)35(43)40(24-23-39-21-9-1-2-10-22-39)32(36)34(42)38-25-11-5-3-6-12-25/h4,7-8,13-20,25,29-32H,1-3,5-6,9-12,21-24H2,(H,37,41)(H,38,42)/t29-,30?,31-,32?,36-/m0/s1

InChI Key

ZMIWEUNEKDAFCW-WVPVEWQTSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

612.77

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.384

Distribution Coefficient, logD

4.074

Water Solubility, LogSw

-5.61

Polar Surface Area

82.837

Acid Dissociation Constant (pKa)

9.69

Base Dissociation Constant (pKb)

8.69

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

52.80

C073-4520 in Drug Discovery

Included in Screening Libraries

Cyclic Ugi PPI Library (9586 compounds)

GPCR Targeted Library (31838 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

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
  • Mimetics
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with C073-4520 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C073-4520?
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What is the minimum amount of C073-4520 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-4520
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-4520
  • 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 C073-4520 available by request