C073-3924 Screening compound: (1S,2R,5S,7R)-N~2~-cyclohexyl-N~6~-(3,5-dichlorophenyl)-3-(3-ethoxypropyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

C073-3924 Screening compound: (1S,2R,5S,7R)-N~2~-cyclohexyl-N~6~-(3,5-dichlorophenyl)-3-(3-ethoxypropyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
C073-3924 Screening compound: (1S,2R,5S,7R)-N~2~-cyclohexyl-N~6~-(3,5-dichlorophenyl)-3-(3-ethoxypropyl)-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 C073-3924
(1S,2R,5S,7R)-N~2~-cyclohexyl-N~6~-(3,5-dichlorophenyl)-3-(3-ethoxypropyl)-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

C073-3924

Molecular Formula

C27H33Cl2N3O5 (C27 H33 Cl2 N3 O5)

Compound Name

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

IUPAC name

(5S7R)-N2-cyclohexyl-N6-(35-dichlorophenyl)-3-(3-ethoxypropyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0^{15}]dec-8-ene-26-dicarboxamide

SMILES

CCOCCCN(C([C@]1([C@H]2C3C(Nc4cc(Cl)cc(Cl)c4)=O)O[C@H]3C=C1)C(NC1CCCCC1)=O)C2=O

InChI

InChI=1S/C27H33Cl2N3O5/c1-2-36-12-6-11-32-23(25(34)30-18-7-4-3-5-8-18)27-10-9-20(37-27)21(22(27)26(32)35)24(33)31-19-14-16(28)13-17(29)15-19/h9-10,13-15,18,20-23H,2-8,11-12H2,1H3,(H,30,34)(H,31,33)/t20-,21?,22-,23?,27-/m0/s1

InChI Key

OTAXSTSMOKUGIQ-DQKSCNQASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

550.48

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

4.476

Distribution Coefficient, logD

3.132

Water Solubility, LogSw

-4.67

Polar Surface Area

80.024

Acid Dissociation Constant (pKa)

6.08

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

59.30

C073-3924 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 C073-3924 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C073-3924?
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What is the minimum amount of C073-3924 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-3924
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-3924
  • 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 C073-3924 available by request