C073-5699 Screening compound: (1S,2R,5S,7R)-3-cyclooctyl-N~6~-(4-ethoxyphenyl)-N~2~-(2-methylcyclohexyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

C073-5699 Screening compound: (1S,2R,5S,7R)-3-cyclooctyl-N~6~-(4-ethoxyphenyl)-N~2~-(2-methylcyclohexyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
C073-5699 Screening compound: (1S,2R,5S,7R)-3-cyclooctyl-N~6~-(4-ethoxyphenyl)-N~2~-(2-methylcyclohexyl)-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 C073-5699
(1S,2R,5S,7R)-3-cyclooctyl-N~6~-(4-ethoxyphenyl)-N~2~-(2-methylcyclohexyl)-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

C073-5699

Molecular Formula

C33H45N3O5 (C33 H45 N3 O5)

Compound Name

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

IUPAC name

(5S7R)-3-cyclooctyl-N6-(4-ethoxyphenyl)-N2-(2-methylcyclohexyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0^{15}]dec-8-ene-26-dicarboxamide

SMILES

CCOc(cc1)ccc1NC(C([C@H]1C(N(C2C(NC3C(C)CCCC3)=O)C3CCCCCCC3)=O)[C@H]3O[C@@]12C=C3)=O

InChI

InChI=1S/C33H45N3O5/c1-3-40-24-17-15-22(16-18-24)34-30(37)27-26-19-20-33(41-26)28(27)32(39)36(23-12-7-5-4-6-8-13-23)29(33)31(38)35-25-14-10-9-11-21(25)2/h15-21,23,25-29H,3-14H2,1-2H3,(H,34,37)(H,35,38)/t21?,25?,26-,27?,28-,29?,33-/m0/s1

InChI Key

RIVXDLSETRRSDR-DQIZEIMLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

563.74

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

5.772

Distribution Coefficient, logD

5.769

Water Solubility, LogSw

-5.44

Polar Surface Area

78.863

Acid Dissociation Constant (pKa)

9.51

Base Dissociation Constant (pKb)

3.89

Number of Chiral Centers

7.00

Percent sp3 carbon bonding

66.70

C073-5699 in Drug Discovery

Included in Screening Libraries

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C073-5699 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C073-5699?
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What is the minimum amount of C073-5699 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-5699
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-5699
  • 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 C073-5699 available by request