C073-2828 Screening compound: (1R,2S,5R,7S)-N~2~-(2,3-dimethylcyclohexyl)-N~6~-(4-methoxyphenyl)-4-oxo-3-(1-phenylethyl)-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

C073-2828 Screening compound: (1R,2S,5R,7S)-N~2~-(2,3-dimethylcyclohexyl)-N~6~-(4-methoxyphenyl)-4-oxo-3-(1-phenylethyl)-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
C073-2828 Screening compound: (1R,2S,5R,7S)-N~2~-(2,3-dimethylcyclohexyl)-N~6~-(4-methoxyphenyl)-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 C073-2828
(1R,2S,5R,7S)-N~2~-(2,3-dimethylcyclohexyl)-N~6~-(4-methoxyphenyl)-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

C073-2828

Molecular Formula

C33H39N3O5 (C33 H39 N3 O5)

Compound Name

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

IUPAC name

(5R7S)-N2-(23-dimethylcyclohexyl)-N6-(4-methoxyphenyl)-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(Nc(cc4)ccc4OC)=O)O[C@H]3C=C1)C(NC1C(C)C(C)CCC1)=O)C2=O

InChI

InChI=1S/C33H39N3O5/c1-19-9-8-12-25(20(19)2)35-31(38)29-33-18-17-26(41-33)27(30(37)34-23-13-15-24(40-4)16-14-23)28(33)32(39)36(29)21(3)22-10-6-5-7-11-22/h5-7,10-11,13-21,25-29H,8-9,12H2,1-4H3,(H,34,37)(H,35,38)/t19?,20?,21?,25?,26-,27?,28-,29?,33-/m0/s1

InChI Key

UHDYXLLARFOCQN-JDSPWSSJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

557.69

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

4.383

Distribution Coefficient, logD

4.380

Water Solubility, LogSw

-4.39

Polar Surface Area

79.072

Acid Dissociation Constant (pKa)

9.51

Base Dissociation Constant (pKb)

3.89

Number of Chiral Centers

9.00

Percent sp3 carbon bonding

48.50

C073-2828 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)

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
Structure:
  • Cyclic compounds
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C073-2828 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C073-2828 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-2828
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-2828
  • 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 C073-2828 available by request