C073-4122 Screening compound: (1S,2R,5S,7R)-N~2~-cyclohexyl-N~6~-(4-methoxyphenyl)-4-oxo-3-propyl-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

C073-4122 Screening compound: (1S,2R,5S,7R)-N~2~-cyclohexyl-N~6~-(4-methoxyphenyl)-4-oxo-3-propyl-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
C073-4122 Screening compound: (1S,2R,5S,7R)-N~2~-cyclohexyl-N~6~-(4-methoxyphenyl)-4-oxo-3-propyl-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 C073-4122
(1S,2R,5S,7R)-N~2~-cyclohexyl-N~6~-(4-methoxyphenyl)-4-oxo-3-propyl-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

C073-4122

Molecular Formula

C26H33N3O5 (C26 H33 N3 O5)

Compound Name

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

IUPAC name

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

SMILES

CCCN(C([C@]1([C@H]2C3C(Nc(cc4)ccc4OC)=O)O[C@H]3C=C1)C(NC1CCCCC1)=O)C2=O

InChI

InChI=1S/C26H33N3O5/c1-3-15-29-22(24(31)28-16-7-5-4-6-8-16)26-14-13-19(34-26)20(21(26)25(29)32)23(30)27-17-9-11-18(33-2)12-10-17/h9-14,16,19-22H,3-8,15H2,1-2H3,(H,27,30)(H,28,31)/t19-,20?,21-,22?,26-/m0/s1

InChI Key

HGLQQIOYSLPHKX-MLAQOFQXSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.264

Distribution Coefficient, logD

3.261

Water Solubility, LogSw

-3.60

Polar Surface Area

79.591

Acid Dissociation Constant (pKa)

9.51

Base Dissociation Constant (pKb)

3.89

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

57.70

C073-4122 in Drug Discovery

Included in Screening Libraries

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

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 C073-4122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C073-4122?
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What is the minimum amount of C073-4122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-4122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-4122
  • 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 C073-4122 available by request