C073-2816 Screening compound: (1R,2S,5R,7S)-3-(4-chlorobenzyl)-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

C073-2816 Screening compound: (1R,2S,5R,7S)-3-(4-chlorobenzyl)-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
C073-2816 Screening compound: (1R,2S,5R,7S)-3-(4-chlorobenzyl)-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 C073-2816
(1R,2S,5R,7S)-3-(4-chlorobenzyl)-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

C073-2816

Molecular Formula

C32H36ClN3O5 (C32 H36 ClN3 O5)

Compound Name

(1R,2S,5R,7S)-3-(4-chlorobenzyl)-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

(5R7S)-3-[(4-chlorophenyl)methyl]-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(Cc(cc1)ccc1Cl)C2=O)=O

InChI

InChI=1S/C32H36ClN3O5/c1-18-5-4-6-24(19(18)2)35-30(38)28-32-16-15-25(41-32)26(29(37)34-22-11-13-23(40-3)14-12-22)27(32)31(39)36(28)17-20-7-9-21(33)10-8-20/h7-16,18-19,24-28H,4-6,17H2,1-3H3,(H,34,37)(H,35,38)/t18?,19?,24?,25-,26?,27+,28?,32-/m0/s1

InChI Key

LWLTYDQSSXTORE-JAZOWHSWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

578.11

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

4.412

Distribution Coefficient, logD

4.409

Water Solubility, LogSw

-4.67

Polar Surface Area

79.731

Acid Dissociation Constant (pKa)

9.51

Base Dissociation Constant (pKb)

3.89

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

46.90

C073-2816 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C073-2816 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C073-2816?
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What is the minimum amount of C073-2816 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-2816
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-2816
  • 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 C073-2816 available by request