C073-2878 Screening compound: (1S,2R,5S,7R)-N~2~-(2,3-dimethylcyclohexyl)-N~6~-(4-methoxyphenyl)-3-[3-(3-methylpiperidino)propyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

C073-2878 Screening compound: (1S,2R,5S,7R)-N~2~-(2,3-dimethylcyclohexyl)-N~6~-(4-methoxyphenyl)-3-[3-(3-methylpiperidino)propyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
C073-2878 Screening compound: (1S,2R,5S,7R)-N~2~-(2,3-dimethylcyclohexyl)-N~6~-(4-methoxyphenyl)-3-[3-(3-methylpiperidino)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 C073-2878
(1S,2R,5S,7R)-N~2~-(2,3-dimethylcyclohexyl)-N~6~-(4-methoxyphenyl)-3-[3-(3-methylpiperidino)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

C073-2878

Molecular Formula

C34H48N4O5 (C34 H48 N4 O5)

Compound Name

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

IUPAC name

(5S7R)-N2-(23-dimethylcyclohexyl)-N6-(4-methoxyphenyl)-3-[3-(3-methylpiperidin-1-yl)propyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0^{15}]dec-8-ene-26-dicarboxamide

SMILES

CC1CN(CCCN(C([C@]2([C@H]3C4C(Nc(cc5)ccc5OC)=O)O[C@H]4C=C2)C(NC2C(C)C(C)CCC2)=O)C3=O)CCC1

InChI

InChI=1S/C34H48N4O5/c1-21-8-6-17-37(20-21)18-7-19-38-30(32(40)36-26-10-5-9-22(2)23(26)3)34-16-15-27(43-34)28(29(34)33(38)41)31(39)35-24-11-13-25(42-4)14-12-24/h11-16,21-23,26-30H,5-10,17-20H2,1-4H3,(H,35,39)(H,36,40)/t21?,22?,23?,26?,27-,28?,29-,30?,34-/m0/s1

InChI Key

COVDULQVNQQCAR-GMXQHRAZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

592.78

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.596

Distribution Coefficient, logD

1.378

Water Solubility, LogSw

-3.93

Polar Surface Area

83.625

Acid Dissociation Constant (pKa)

9.51

Base Dissociation Constant (pKb)

9.62

Number of Chiral Centers

9.00

Percent sp3 carbon bonding

67.60

C073-2878 in Drug Discovery

Included in Screening Libraries

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

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

References: we are preparing a list of scientific research reports with C073-2878 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C073-2878 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-2878
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-2878
  • 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 C073-2878 available by request