C073-4917 Screening compound: (1R,2S,5R,7S)-N~2~-cyclohexyl-N~6~-(4-isopropylphenyl)-3-(3-morpholinopropyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

C073-4917 Screening compound: (1R,2S,5R,7S)-N~2~-cyclohexyl-N~6~-(4-isopropylphenyl)-3-(3-morpholinopropyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
C073-4917 Screening compound: (1R,2S,5R,7S)-N~2~-cyclohexyl-N~6~-(4-isopropylphenyl)-3-(3-morpholinopropyl)-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 C073-4917
(1R,2S,5R,7S)-N~2~-cyclohexyl-N~6~-(4-isopropylphenyl)-3-(3-morpholinopropyl)-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

C073-4917

Molecular Formula

C32H44N4O5 (C32 H44 N4 O5)

Compound Name

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

IUPAC name

(5R7S)-N2-cyclohexyl-3-[3-(morpholin-4-yl)propyl]-4-oxo-N6-[4-(propan-2-yl)phenyl]-10-oxa-3-azatricyclo[5.2.1.0^{15}]dec-8-ene-26-dicarboxamide

SMILES

CC(C)c(cc1)ccc1NC(C([C@H]1C(N(CCCN2CCOCC2)C2C(NC3CCCCC3)=O)=O)[C@H]3O[C@@]12C=C3)=O

InChI

InChI=1S/C32H44N4O5/c1-21(2)22-9-11-24(12-10-22)33-29(37)26-25-13-14-32(41-25)27(26)31(39)36(16-6-15-35-17-19-40-20-18-35)28(32)30(38)34-23-7-4-3-5-8-23/h9-14,21,23,25-28H,3-8,15-20H2,1-2H3,(H,33,37)(H,34,38)/t25-,26?,27-,28?,32-/m0/s1

InChI Key

YRGVKLWANSKNPM-WAHFGQRYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

564.73

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

3.565

Distribution Coefficient, logD

3.349

Water Solubility, LogSw

-3.70

Polar Surface Area

83.666

Acid Dissociation Constant (pKa)

9.71

Base Dissociation Constant (pKb)

7.20

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

65.60

C073-4917 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 GPCR Annotated Library (5539 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)

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

References: we are preparing a list of scientific research reports with C073-4917 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C073-4917 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-4917
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-4917
  • 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 C073-4917 available by request