C073-4603 Screening compound: (1R,2S,5R,7S)-N~6~-(4-bromophenyl)-N~2~-cyclohexyl-4-oxo-3-(2-piperidinoethyl)-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

C073-4603 Screening compound: (1R,2S,5R,7S)-N~6~-(4-bromophenyl)-N~2~-cyclohexyl-4-oxo-3-(2-piperidinoethyl)-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
C073-4603 Screening compound: (1R,2S,5R,7S)-N~6~-(4-bromophenyl)-N~2~-cyclohexyl-4-oxo-3-(2-piperidinoethyl)-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 C073-4603
(1R,2S,5R,7S)-N~6~-(4-bromophenyl)-N~2~-cyclohexyl-4-oxo-3-(2-piperidinoethyl)-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

C073-4603

Molecular Formula

C29H37BrN4O4 (C29 H37 BrN4 O4)

Compound Name

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

IUPAC name

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

SMILES

O=C(C([C@H]1C(N(CCN2CCCCC2)C2C(NC3CCCCC3)=O)=O)[C@H]3O[C@@]12C=C3)Nc(cc1)ccc1Br

InChI

InChI=1S/C29H37BrN4O4/c30-19-9-11-21(12-10-19)31-26(35)23-22-13-14-29(38-22)24(23)28(37)34(18-17-33-15-5-2-6-16-33)25(29)27(36)32-20-7-3-1-4-8-20/h9-14,20,22-25H,1-8,15-18H2,(H,31,35)(H,32,36)/t22-,23?,24-,25?,29-/m0/s1

InChI Key

WKUAZJHWQDLJKW-JKAWKZIYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

585.54

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

4.031

Distribution Coefficient, logD

2.698

Water Solubility, LogSw

-4.22

Polar Surface Area

75.758

Acid Dissociation Constant (pKa)

8.04

Base Dissociation Constant (pKb)

8.71

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

62.10

C073-4603 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Proteases Annotated Library (2868 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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
  • Pool
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with C073-4603 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C073-4603 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-4603
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-4603
  • 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 C073-4603 available by request