C073-4017 Screening compound: (1R,2S,5R,7S)-N~2~-cyclohexyl-N~6~-(3,4-dichlorophenyl)-3-[2-(dipropylamino)ethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

C073-4017 Screening compound: (1R,2S,5R,7S)-N~2~-cyclohexyl-N~6~-(3,4-dichlorophenyl)-3-[2-(dipropylamino)ethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
C073-4017 Screening compound: (1R,2S,5R,7S)-N~2~-cyclohexyl-N~6~-(3,4-dichlorophenyl)-3-[2-(dipropylamino)ethyl]-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 C073-4017
(1R,2S,5R,7S)-N~2~-cyclohexyl-N~6~-(3,4-dichlorophenyl)-3-[2-(dipropylamino)ethyl]-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

C073-4017

Molecular Formula

C30H40Cl2N4O4 (C30 H40 Cl2 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

CCCN(CCC)CCN(C([C@]1([C@H]2C3C(Nc(cc4)cc(Cl)c4Cl)=O)O[C@H]3C=C1)C(NC1CCCCC1)=O)C2=O

InChI

InChI=1S/C30H40Cl2N4O4/c1-3-14-35(15-4-2)16-17-36-26(28(38)33-19-8-6-5-7-9-19)30-13-12-23(40-30)24(25(30)29(36)39)27(37)34-20-10-11-21(31)22(32)18-20/h10-13,18-19,23-26H,3-9,14-17H2,1-2H3,(H,33,38)(H,34,37)/t23-,24?,25-,26?,30-/m0/s1

InChI Key

CVLKJPGSLRASNK-BKHVQOJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

591.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.479

Distribution Coefficient, logD

5.479

Water Solubility, LogSw

-5.96

Polar Surface Area

75.965

Acid Dissociation Constant (pKa)

6.16

Base Dissociation Constant (pKb)

8.88

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

63.30

C073-4017 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 C073-4017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C073-4017?
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What is the minimum amount of C073-4017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-4017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-4017
  • 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 C073-4017 available by request