C073-4700 Screening compound: (1S,2R,5S,7R)-N~2~-cyclohexyl-N~6~-(3,4-dimethylphenyl)-4-oxo-3-(1-phenylethyl)-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

C073-4700 Screening compound: (1S,2R,5S,7R)-N~2~-cyclohexyl-N~6~-(3,4-dimethylphenyl)-4-oxo-3-(1-phenylethyl)-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
C073-4700 Screening compound: (1S,2R,5S,7R)-N~2~-cyclohexyl-N~6~-(3,4-dimethylphenyl)-4-oxo-3-(1-phenylethyl)-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 C073-4700
(1S,2R,5S,7R)-N~2~-cyclohexyl-N~6~-(3,4-dimethylphenyl)-4-oxo-3-(1-phenylethyl)-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

C073-4700

Molecular Formula

C32H37N3O4 (C32 H37 N3 O4)

Compound Name

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

IUPAC name

(5S7R)-N2-cyclohexyl-N6-(34-dimethylphenyl)-4-oxo-3-(1-phenylethyl)-10-oxa-3-azatricyclo[5.2.1.0^{15}]dec-8-ene-26-dicarboxamide

SMILES

CC(c1ccccc1)N(C([C@]1([C@H]2C3C(Nc4cc(C)c(C)cc4)=O)O[C@H]3C=C1)C(NC1CCCCC1)=O)C2=O

InChI

InChI=1S/C32H37N3O4/c1-19-14-15-24(18-20(19)2)34-29(36)26-25-16-17-32(39-25)27(26)31(38)35(21(3)22-10-6-4-7-11-22)28(32)30(37)33-23-12-8-5-9-13-23/h4,6-7,10-11,14-18,21,23,25-28H,5,8-9,12-13H2,1-3H3,(H,33,37)(H,34,36)/t21?,25-,26?,27-,28?,32-/m0/s1

InChI Key

FNLOLWDSIUGRJG-PDYOAVPJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.66

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.396

Distribution Coefficient, logD

5.394

Water Solubility, LogSw

-5.30

Polar Surface Area

71.138

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

0.23

Number of Chiral Centers

6.00

Percent sp3 carbon bonding

46.90

C073-4700 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
  • Cyclic compounds
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C073-4700 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C073-4700?
Check Price and Availability of C073-4700, 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 C073-4700 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-4700
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-4700
  • 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 C073-4700 available by request