C073-4915 Screening compound: (1S,2R,5S,7R)-N~2~-cyclohexyl-3-[2-(diethylamino)ethyl]-N~6~-(4-isopropylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

C073-4915 Screening compound: (1S,2R,5S,7R)-N~2~-cyclohexyl-3-[2-(diethylamino)ethyl]-N~6~-(4-isopropylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
C073-4915 Screening compound: (1S,2R,5S,7R)-N~2~-cyclohexyl-3-[2-(diethylamino)ethyl]-N~6~-(4-isopropylphenyl)-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 C073-4915
(1S,2R,5S,7R)-N~2~-cyclohexyl-3-[2-(diethylamino)ethyl]-N~6~-(4-isopropylphenyl)-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

C073-4915

Molecular Formula

C31H44N4O4 (C31 H44 N4 O4)

Compound Name

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

IUPAC name

(5S7R)-N2-cyclohexyl-3-[2-(diethylamino)ethyl]-4-oxo-N6-[4-(propan-2-yl)phenyl]-10-oxa-3-azatricyclo[5.2.1.0^{15}]dec-8-ene-26-dicarboxamide

SMILES

CCN(CC)CCN(C([C@]1([C@H]2C3C(Nc4ccc(C(C)C)cc4)=O)O[C@H]3C=C1)C(NC1CCCCC1)=O)C2=O

InChI

InChI=1S/C31H44N4O4/c1-5-34(6-2)18-19-35-27(29(37)33-22-10-8-7-9-11-22)31-17-16-24(39-31)25(26(31)30(35)38)28(36)32-23-14-12-21(13-15-23)20(3)4/h12-17,20,22,24-27H,5-11,18-19H2,1-4H3,(H,32,36)(H,33,37)/t24-,25?,26-,27?,31-/m0/s1

InChI Key

XWSRFSZMLJUCLK-HGQQOORBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.71

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.573

Distribution Coefficient, logD

3.119

Water Solubility, LogSw

-4.24

Polar Surface Area

75.458

Acid Dissociation Constant (pKa)

9.71

Base Dissociation Constant (pKb)

8.84

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

64.52

C073-4915 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS targets activity set (6557 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C073-4915 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C073-4915?
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What is the minimum amount of C073-4915 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-4915
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-4915
  • 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 C073-4915 available by request