C073-3835 Screening compound: (1R,2S,5R,7S)-3-[2-(diethylamino)ethyl]-N~2~-(2,3-dimethylcyclohexyl)-N~6~-(3-methylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

C073-3835 Screening compound: (1R,2S,5R,7S)-3-[2-(diethylamino)ethyl]-N~2~-(2,3-dimethylcyclohexyl)-N~6~-(3-methylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
C073-3835 Screening compound: (1R,2S,5R,7S)-3-[2-(diethylamino)ethyl]-N~2~-(2,3-dimethylcyclohexyl)-N~6~-(3-methylphenyl)-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 C073-3835
(1R,2S,5R,7S)-3-[2-(diethylamino)ethyl]-N~2~-(2,3-dimethylcyclohexyl)-N~6~-(3-methylphenyl)-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

C073-3835

Molecular Formula

C31H44N4O4 (C31 H44 N4 O4)

Compound Name

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

IUPAC name

(5R7S)-3-[2-(diethylamino)ethyl]-N2-(23-dimethylcyclohexyl)-N6-(3-methylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0^{15}]dec-8-ene-26-dicarboxamide

SMILES

CCN(CC)CCN(C([C@]1([C@H]2C3C(Nc4cc(C)ccc4)=O)O[C@H]3C=C1)C(NC1C(C)C(C)CCC1)=O)C2=O

InChI

InChI=1S/C31H44N4O4/c1-6-34(7-2)16-17-35-27(29(37)33-23-13-9-11-20(4)21(23)5)31-15-14-24(39-31)25(26(31)30(35)38)28(36)32-22-12-8-10-19(3)18-22/h8,10,12,14-15,18,20-21,23-27H,6-7,9,11,13,16-17H2,1-5H3,(H,32,36)(H,33,37)/t20?,21?,23?,24-,25?,26-,27?,31-/m0/s1

InChI Key

OJFKXHPCEWVHFU-JSFUJHEWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.71

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.587

Distribution Coefficient, logD

2.133

Water Solubility, LogSw

-3.68

Polar Surface Area

75.848

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

8.84

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

64.50

C073-3835 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS targets activity set (6557 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Human Proteases Annotated Library (2868 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 C073-3835 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C073-3835?
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What is the minimum amount of C073-3835 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-3835
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-3835
  • 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 C073-3835 available by request