C073-4248 Screening compound: (1S,2R,5S,7R)-3-[3-(4-benzylpiperazino)propyl]-N~6~-(3-chlorophenyl)-N~2~-cyclohexyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

C073-4248 Screening compound: (1S,2R,5S,7R)-3-[3-(4-benzylpiperazino)propyl]-N~6~-(3-chlorophenyl)-N~2~-cyclohexyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
C073-4248 Screening compound: (1S,2R,5S,7R)-3-[3-(4-benzylpiperazino)propyl]-N~6~-(3-chlorophenyl)-N~2~-cyclohexyl-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 C073-4248
(1S,2R,5S,7R)-3-[3-(4-benzylpiperazino)propyl]-N~6~-(3-chlorophenyl)-N~2~-cyclohexyl-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

C073-4248

Molecular Formula

C36H44ClN5O4 (C36 H44 ClN5 O4)

Compound Name

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

IUPAC name

(5S7R)-3-[3-(4-benzylpiperazin-1-yl)propyl]-N6-(3-chlorophenyl)-N2-cyclohexyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.0^{15}]dec-8-ene-26-dicarboxamide

SMILES

O=C(C([C@H]1C(N(CCCN2CCN(Cc3ccccc3)CC2)C2C(NC3CCCCC3)=O)=O)[C@H]3O[C@@]12C=C3)Nc1cccc(Cl)c1

InChI

InChI=1S/C36H44ClN5O4/c37-26-11-7-14-28(23-26)39-33(43)30-29-15-16-36(46-29)31(30)35(45)42(32(36)34(44)38-27-12-5-2-6-13-27)18-8-17-40-19-21-41(22-20-40)24-25-9-3-1-4-10-25/h1,3-4,7,9-11,14-16,23,27,29-32H,2,5-6,8,12-13,17-22,24H2,(H,38,44)(H,39,43)/t29-,30?,31-,32?,36-/m0/s1

InChI Key

RWSGJJCXYJFSJF-WVPVEWQTSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

646.23

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.392

Distribution Coefficient, logD

3.892

Water Solubility, LogSw

-4.51

Polar Surface Area

79.298

Acid Dissociation Constant (pKa)

7.95

Base Dissociation Constant (pKb)

7.74

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

52.80

C073-4248 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 C073-4248 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C073-4248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-4248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-4248
  • 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 C073-4248 available by request