C073-5349 Screening compound: (1R,2S,5R,7S)-N~6~-(3-methoxyphenyl)-N~2~-(2-methylcyclohexyl)-3-(3-morpholinopropyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

C073-5349 Screening compound: (1R,2S,5R,7S)-N~6~-(3-methoxyphenyl)-N~2~-(2-methylcyclohexyl)-3-(3-morpholinopropyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
C073-5349 Screening compound: (1R,2S,5R,7S)-N~6~-(3-methoxyphenyl)-N~2~-(2-methylcyclohexyl)-3-(3-morpholinopropyl)-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 C073-5349
(1R,2S,5R,7S)-N~6~-(3-methoxyphenyl)-N~2~-(2-methylcyclohexyl)-3-(3-morpholinopropyl)-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

C073-5349

Molecular Formula

C31H42N4O6 (C31 H42 N4 O6)

Compound Name

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

IUPAC name

(5R7S)-N6-(3-methoxyphenyl)-N2-(2-methylcyclohexyl)-3-[3-(morpholin-4-yl)propyl]-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(OC)ccc4)=O)O[C@H]3C=C1)N(CCCN1CCOCC1)C2=O)=O

InChI

InChI=1S/C31H42N4O6/c1-20-7-3-4-10-23(20)33-29(37)27-31-12-11-24(41-31)25(28(36)32-21-8-5-9-22(19-21)39-2)26(31)30(38)35(27)14-6-13-34-15-17-40-18-16-34/h5,8-9,11-12,19-20,23-27H,3-4,6-7,10,13-18H2,1-2H3,(H,32,36)(H,33,37)/t20?,23?,24-,25?,26-,27?,31-/m0/s1

InChI Key

LRNBJBIMPKJWFP-KZZAITQXSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

566.7

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.511

Distribution Coefficient, logD

2.282

Water Solubility, LogSw

-2.85

Polar Surface Area

91.600

Acid Dissociation Constant (pKa)

8.85

Base Dissociation Constant (pKb)

7.20

Number of Chiral Centers

7.00

Percent sp3 carbon bonding

64.50

C073-5349 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)

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 C073-5349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C073-5349?
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What is the minimum amount of C073-5349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-5349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-5349
  • 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 C073-5349 available by request