C073-4229 Screening compound: (1R,2S,5R,7S)-N~6~-(3-chlorophenyl)-N~2~-cyclohexyl-3-[3-(2-ethylpiperidino)propyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

C073-4229 Screening compound: (1R,2S,5R,7S)-N~6~-(3-chlorophenyl)-N~2~-cyclohexyl-3-[3-(2-ethylpiperidino)propyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
C073-4229 Screening compound: (1R,2S,5R,7S)-N~6~-(3-chlorophenyl)-N~2~-cyclohexyl-3-[3-(2-ethylpiperidino)propyl]-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 C073-4229
(1R,2S,5R,7S)-N~6~-(3-chlorophenyl)-N~2~-cyclohexyl-3-[3-(2-ethylpiperidino)propyl]-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

C073-4229

Molecular Formula

C32H43ClN4O4 (C32 H43 ClN4 O4)

Compound Name

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

IUPAC name

(5R7S)-N6-(3-chlorophenyl)-N2-cyclohexyl-3-[3-(2-ethylpiperidin-1-yl)propyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0^{15}]dec-8-ene-26-dicarboxamide

SMILES

CCC1N(CCCN(C([C@]2([C@H]3C4C(Nc5cccc(Cl)c5)=O)O[C@H]4C=C2)C(NC2CCCCC2)=O)C3=O)CCCC1

InChI

InChI=1S/C32H43ClN4O4/c1-2-24-14-6-7-17-36(24)18-9-19-37-28(30(39)34-22-11-4-3-5-12-22)32-16-15-25(41-32)26(27(32)31(37)40)29(38)35-23-13-8-10-21(33)20-23/h8,10,13,15-16,20,22,24-28H,2-7,9,11-12,14,17-19H2,1H3,(H,34,39)(H,35,38)/t24?,25-,26?,27-,28?,32-/m0/s1

InChI Key

VFHOANXEQUFPNH-DLJZKEIISA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

583.17

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

4.802

Distribution Coefficient, logD

2.290

Water Solubility, LogSw

-4.78

Polar Surface Area

75.570

Acid Dissociation Constant (pKa)

7.95

Base Dissociation Constant (pKb)

9.91

Number of Chiral Centers

6.00

Percent sp3 carbon bonding

65.60

C073-4229 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cyclic Ugi PPI Library (9586 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)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C073-4229 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C073-4229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-4229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-4229
  • 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 C073-4229 available by request