C073-6418 Screening compound: (1S,2R,5S,7R)-3-cycloheptyl-N~2~-(2-methylcyclohexyl)-N~6~-(3-methylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

C073-6418 Screening compound: (1S,2R,5S,7R)-3-cycloheptyl-N~2~-(2-methylcyclohexyl)-N~6~-(3-methylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
C073-6418 Screening compound: (1S,2R,5S,7R)-3-cycloheptyl-N~2~-(2-methylcyclohexyl)-N~6~-(3-methylphenyl)-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 C073-6418
(1S,2R,5S,7R)-3-cycloheptyl-N~2~-(2-methylcyclohexyl)-N~6~-(3-methylphenyl)-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

C073-6418

Molecular Formula

C31H41N3O4 (C31 H41 N3 O4)

Compound Name

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

IUPAC name

(5S7R)-3-cycloheptyl-N2-(2-methylcyclohexyl)-N6-(3-methylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0^{15}]dec-8-ene-26-dicarboxamide

SMILES

CC(CCCC1)C1NC(C([C@]1([C@H]2C3C(Nc4cc(C)ccc4)=O)O[C@H]3C=C1)N(C1CCCCCC1)C2=O)=O

InChI

InChI=1S/C31H41N3O4/c1-19-10-9-12-21(18-19)32-28(35)25-24-16-17-31(38-24)26(25)30(37)34(22-13-5-3-4-6-14-22)27(31)29(36)33-23-15-8-7-11-20(23)2/h9-10,12,16-18,20,22-27H,3-8,11,13-15H2,1-2H3,(H,32,35)(H,33,36)/t20?,23?,24-,25?,26-,27?,31-/m0/s1

InChI Key

AUEGKBGLDHSQLC-KZZAITQXSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.68

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.267

Distribution Coefficient, logD

5.266

Water Solubility, LogSw

-5.14

Polar Surface Area

71.740

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

7.00

Percent sp3 carbon bonding

64.50

C073-6418 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 C073-6418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C073-6418?
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What is the minimum amount of C073-6418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-6418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-6418
  • 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 C073-6418 available by request