C073-3327 Screening compound: (1S,2R,5S,7R)-N~6~-(3-chloro-4-methylphenyl)-N~2~-(2,3-dimethylcyclohexyl)-3-(4-methoxybenzyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

C073-3327 Screening compound: (1S,2R,5S,7R)-N~6~-(3-chloro-4-methylphenyl)-N~2~-(2,3-dimethylcyclohexyl)-3-(4-methoxybenzyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
C073-3327 Screening compound: (1S,2R,5S,7R)-N~6~-(3-chloro-4-methylphenyl)-N~2~-(2,3-dimethylcyclohexyl)-3-(4-methoxybenzyl)-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 C073-3327
(1S,2R,5S,7R)-N~6~-(3-chloro-4-methylphenyl)-N~2~-(2,3-dimethylcyclohexyl)-3-(4-methoxybenzyl)-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

C073-3327

Molecular Formula

C33H38ClN3O5 (C33 H38 ClN3 O5)

Compound Name

(1S,2R,5S,7R)-N~6~-(3-chloro-4-methylphenyl)-N~2~-(2,3-dimethylcyclohexyl)-3-(4-methoxybenzyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

IUPAC name

(5S7R)-N6-(3-chloro-4-methylphenyl)-N2-(23-dimethylcyclohexyl)-3-[(4-methoxyphenyl)methyl]-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(Nc4cc(Cl)c(C)cc4)=O)O[C@H]3C=C1)N(Cc(cc1)ccc1OC)C2=O)=O

InChI

InChI=1S/C33H38ClN3O5/c1-18-6-5-7-25(20(18)3)36-31(39)29-33-15-14-26(42-33)27(30(38)35-22-11-8-19(2)24(34)16-22)28(33)32(40)37(29)17-21-9-12-23(41-4)13-10-21/h8-16,18,20,25-29H,5-7,17H2,1-4H3,(H,35,38)(H,36,39)/t18?,20?,25?,26-,27?,28-,29?,33-/m0/s1

InChI Key

VJHVSFTYHCZPJW-SAAJWROQSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

592.13

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

5.207

Distribution Coefficient, logD

5.071

Water Solubility, LogSw

-5.70

Polar Surface Area

79.731

Acid Dissociation Constant (pKa)

7.83

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

48.50

C073-3327 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 C073-3327 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C073-3327?
Check Price and Availability of C073-3327, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C073-3327 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-3327
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-3327
  • 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 C073-3327 available by request