C073-4045 Screening compound: (1R,2S,5R,7S)-N~2~-cyclohexyl-3-(3,4-dimethoxyphenethyl)-N~6~-(3-methoxyphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

C073-4045 Screening compound: (1R,2S,5R,7S)-N~2~-cyclohexyl-3-(3,4-dimethoxyphenethyl)-N~6~-(3-methoxyphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
C073-4045 Screening compound: (1R,2S,5R,7S)-N~2~-cyclohexyl-3-(3,4-dimethoxyphenethyl)-N~6~-(3-methoxyphenyl)-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 C073-4045
(1R,2S,5R,7S)-N~2~-cyclohexyl-3-(3,4-dimethoxyphenethyl)-N~6~-(3-methoxyphenyl)-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

C073-4045

Molecular Formula

C33H39N3O7 (C33 H39 N3 O7)

Compound Name

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

IUPAC name

(5R7S)-N2-cyclohexyl-3-[2-(34-dimethoxyphenyl)ethyl]-N6-(3-methoxyphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0^{15}]dec-8-ene-26-dicarboxamide

SMILES

COc1cccc(NC(C([C@H]2C(N(CCc(cc3)cc(OC)c3OC)C3C(NC4CCCCC4)=O)=O)[C@H]4O[C@@]23C=C4)=O)c1

InChI

InChI=1S/C33H39N3O7/c1-40-23-11-7-10-22(19-23)35-30(37)27-25-14-16-33(43-25)28(27)32(39)36(29(33)31(38)34-21-8-5-4-6-9-21)17-15-20-12-13-24(41-2)26(18-20)42-3/h7,10-14,16,18-19,21,25,27-29H,4-6,8-9,15,17H2,1-3H3,(H,34,38)(H,35,37)/t25-,27?,28-,29?,33-/m0/s1

InChI Key

IFJNGQMMNSGWOC-HOVRKIATSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

589.69

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.895

Distribution Coefficient, logD

3.880

Water Solubility, LogSw

-4.10

Polar Surface Area

94.580

Acid Dissociation Constant (pKa)

8.85

Base Dissociation Constant (pKb)

-0.02

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

48.50

C073-4045 in Drug Discovery

Included in Screening Libraries

Cyclic Ugi PPI Library (9586 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with C073-4045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C073-4045?
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What is the minimum amount of C073-4045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-4045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-4045
  • 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 C073-4045 available by request