C073-2819 Screening compound: (1S,2R,5S,7R)-3-cyclooctyl-N~2~-(2,3-dimethylcyclohexyl)-N~6~-(4-methoxyphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

C073-2819 Screening compound: (1S,2R,5S,7R)-3-cyclooctyl-N~2~-(2,3-dimethylcyclohexyl)-N~6~-(4-methoxyphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
C073-2819 Screening compound: (1S,2R,5S,7R)-3-cyclooctyl-N~2~-(2,3-dimethylcyclohexyl)-N~6~-(4-methoxyphenyl)-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 C073-2819
(1S,2R,5S,7R)-3-cyclooctyl-N~2~-(2,3-dimethylcyclohexyl)-N~6~-(4-methoxyphenyl)-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

C073-2819

Molecular Formula

C33H45N3O5 (C33 H45 N3 O5)

Compound Name

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

IUPAC name

(5S7R)-3-cyclooctyl-N2-(23-dimethylcyclohexyl)-N6-(4-methoxyphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0^{15}]dec-8-ene-26-dicarboxamide

SMILES

CC(CCC1)C(C)C1NC(C([C@]1([C@H]2C3C(Nc(cc4)ccc4OC)=O)O[C@H]3C=C1)N(C1CCCCCCC1)C2=O)=O

InChI

InChI=1S/C33H45N3O5/c1-20-10-9-13-25(21(20)2)35-31(38)29-33-19-18-26(41-33)27(30(37)34-22-14-16-24(40-3)17-15-22)28(33)32(39)36(29)23-11-7-5-4-6-8-12-23/h14-21,23,25-29H,4-13H2,1-3H3,(H,34,37)(H,35,38)/t20?,21?,25?,26-,27?,28-,29?,33-/m0/s1

InChI Key

MOBABIJANOFTTR-YOBUAFPSSA-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

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.160

Distribution Coefficient, logD

5.156

Water Solubility, LogSw

-5.03

Polar Surface Area

79.283

Acid Dissociation Constant (pKa)

9.51

Base Dissociation Constant (pKb)

3.89

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

66.70

C073-2819 in Drug Discovery

Included in Screening Libraries

Cyclic Ugi PPI Library (9586 compounds)

GPCR Targeted Library (31838 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
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with C073-2819 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C073-2819?
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What is the minimum amount of C073-2819 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-2819
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-2819
  • 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 C073-2819 available by request