C073-4163 Screening compound: (1R,2S,5R,7S)-3-{2-[benzyl(methyl)amino]ethyl}-N~2~-cyclohexyl-N~6~-(4-methoxyphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

C073-4163 Screening compound: (1R,2S,5R,7S)-3-{2-[benzyl(methyl)amino]ethyl}-N~2~-cyclohexyl-N~6~-(4-methoxyphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
C073-4163 Screening compound: (1R,2S,5R,7S)-3-{2-[benzyl(methyl)amino]ethyl}-N~2~-cyclohexyl-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 C073-4163
(1R,2S,5R,7S)-3-{2-[benzyl(methyl)amino]ethyl}-N~2~-cyclohexyl-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

C073-4163

Molecular Formula

C33H40N4O5 (C33 H40 N4 O5)

Compound Name

(1R,2S,5R,7S)-3-{2-[benzyl(methyl)amino]ethyl}-N~2~-cyclohexyl-N~6~-(4-methoxyphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

IUPAC name

(5R7S)-3-{2-[benzyl(methyl)amino]ethyl}-N2-cyclohexyl-N6-(4-methoxyphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0^{15}]dec-8-ene-26-dicarboxamide

SMILES

CN(CCN(C([C@]1([C@H]2C3C(Nc(cc4)ccc4OC)=O)O[C@H]3C=C1)C(NC1CCCCC1)=O)C2=O)Cc1ccccc1

InChI

InChI=1S/C33H40N4O5/c1-36(21-22-9-5-3-6-10-22)19-20-37-29(31(39)35-23-11-7-4-8-12-23)33-18-17-26(42-33)27(28(33)32(37)40)30(38)34-24-13-15-25(41-2)16-14-24/h3,5-6,9-10,13-18,23,26-29H,4,7-8,11-12,19-21H2,1-2H3,(H,34,38)(H,35,39)/t26-,27?,28-,29?,33-/m0/s1

InChI Key

JUXGBGMPQWLDDS-WNQLRRQDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

572.7

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.829

Distribution Coefficient, logD

3.450

Water Solubility, LogSw

-4.13

Polar Surface Area

83.413

Acid Dissociation Constant (pKa)

9.51

Base Dissociation Constant (pKb)

7.54

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

48.50

C073-4163 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

Antiviral Library (67538 compounds)

CORONAVIRUS Library (20774 compounds)

Cyclic Ugi PPI Library (9586 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)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C073-4163 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C073-4163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-4163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-4163
  • 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 C073-4163 available by request