C073-3615 Screening compound: (1R,2S,5R,7S)-N~2~-(2,3-dimethylcyclohexyl)-N~6~-(4-isopropylphenyl)-3-(4-methoxybenzyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

C073-3615 Screening compound: (1R,2S,5R,7S)-N~2~-(2,3-dimethylcyclohexyl)-N~6~-(4-isopropylphenyl)-3-(4-methoxybenzyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
C073-3615 Screening compound: (1R,2S,5R,7S)-N~2~-(2,3-dimethylcyclohexyl)-N~6~-(4-isopropylphenyl)-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 C073-3615
(1R,2S,5R,7S)-N~2~-(2,3-dimethylcyclohexyl)-N~6~-(4-isopropylphenyl)-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

C073-3615

Molecular Formula

C35H43N3O5 (C35 H43 N3 O5)

Compound Name

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

IUPAC name

(5R7S)-N2-(23-dimethylcyclohexyl)-3-[(4-methoxyphenyl)methyl]-4-oxo-N6-[4-(propan-2-yl)phenyl]-10-oxa-3-azatricyclo[5.2.1.0^{15}]dec-8-ene-26-dicarboxamide

SMILES

CC(C)c(cc1)ccc1NC(C([C@H]1C(N(Cc(cc2)ccc2OC)C2C(NC3C(C)C(C)CCC3)=O)=O)[C@H]3O[C@@]12C=C3)=O

InChI

InChI=1S/C35H43N3O5/c1-20(2)24-11-13-25(14-12-24)36-32(39)29-28-17-18-35(43-28)30(29)34(41)38(19-23-9-15-26(42-5)16-10-23)31(35)33(40)37-27-8-6-7-21(3)22(27)4/h9-18,20-22,27-31H,6-8,19H2,1-5H3,(H,36,39)(H,37,40)/t21?,22?,27?,28-,29?,30-,31?,35-/m0/s1

InChI Key

HBOJYJRPBWIPFH-SKYPLGDUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

585.74

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.155

Distribution Coefficient, logD

5.153

Water Solubility, LogSw

-5.08

Polar Surface Area

79.731

Acid Dissociation Constant (pKa)

9.71

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

51.40

C073-3615 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 C073-3615 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C073-3615?
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What is the minimum amount of C073-3615 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-3615
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-3615
  • 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 C073-3615 available by request