C073-6447 Screening compound: (1S,2R,5S,7R)-3-(3-methoxypropyl)-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

C073-6447 Screening compound: (1S,2R,5S,7R)-3-(3-methoxypropyl)-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
C073-6447 Screening compound: (1S,2R,5S,7R)-3-(3-methoxypropyl)-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 C073-6447
(1S,2R,5S,7R)-3-(3-methoxypropyl)-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

C073-6447

Molecular Formula

C28H37N3O5 (C28 H37 N3 O5)

Compound Name

(1S,2R,5S,7R)-3-(3-methoxypropyl)-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-(3-methoxypropyl)-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(CCCOC)C2=O)=O

InChI

InChI=1S/C28H37N3O5/c1-17-8-6-10-19(16-17)29-25(32)22-21-12-13-28(36-21)23(22)27(34)31(14-7-15-35-3)24(28)26(33)30-20-11-5-4-9-18(20)2/h6,8,10,12-13,16,18,20-24H,4-5,7,9,11,14-15H2,1-3H3,(H,29,32)(H,30,33)/t18?,20?,21-,22?,23-,24?,28-/m0/s1

InChI Key

SGOOBTMUZMFCDU-GGYLCMPRSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.220

Distribution Coefficient, logD

3.219

Water Solubility, LogSw

-3.54

Polar Surface Area

80.779

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

-0.05

Number of Chiral Centers

7.00

Percent sp3 carbon bonding

60.70

C073-6447 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

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

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C073-6447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C073-6447?
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What is the minimum amount of C073-6447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-6447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-6447
  • 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 C073-6447 available by request