C073-5719 Screening compound: (1R,2S,5R,7S)-N~6~-(4-ethoxyphenyl)-N~2~-(2-methylcyclohexyl)-3-(4-methylcyclohexyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

C073-5719 Screening compound: (1R,2S,5R,7S)-N~6~-(4-ethoxyphenyl)-N~2~-(2-methylcyclohexyl)-3-(4-methylcyclohexyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
C073-5719 Screening compound: (1R,2S,5R,7S)-N~6~-(4-ethoxyphenyl)-N~2~-(2-methylcyclohexyl)-3-(4-methylcyclohexyl)-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 C073-5719
(1R,2S,5R,7S)-N~6~-(4-ethoxyphenyl)-N~2~-(2-methylcyclohexyl)-3-(4-methylcyclohexyl)-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

C073-5719

Molecular Formula

C32H43N3O5 (C32 H43 N3 O5)

Compound Name

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

IUPAC name

(5R7S)-N6-(4-ethoxyphenyl)-N2-(2-methylcyclohexyl)-3-(4-methylcyclohexyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0^{15}]dec-8-ene-26-dicarboxamide

SMILES

CCOc(cc1)ccc1NC(C([C@H]1C(N(C2C(NC3C(C)CCCC3)=O)C3CCC(C)CC3)=O)[C@H]3O[C@@]12C=C3)=O

InChI

InChI=1S/C32H43N3O5/c1-4-39-23-15-11-21(12-16-23)33-29(36)26-25-17-18-32(40-25)27(26)31(38)35(22-13-9-19(2)10-14-22)28(32)30(37)34-24-8-6-5-7-20(24)3/h11-12,15-20,22,24-28H,4-10,13-14H2,1-3H3,(H,33,36)(H,34,37)/t19?,20?,22?,24?,25-,26?,27-,28?,32-/m0/s1

InChI Key

CFQTUEUUHBUYGT-MTMZISTKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

549.71

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

5.400

Distribution Coefficient, logD

5.397

Water Solubility, LogSw

-5.35

Polar Surface Area

78.532

Acid Dissociation Constant (pKa)

9.51

Base Dissociation Constant (pKb)

3.89

Number of Chiral Centers

7.00

Percent sp3 carbon bonding

65.60

C073-5719 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 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

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with C073-5719 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C073-5719 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-5719
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-5719
  • 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 C073-5719 available by request