C073-3569 Screening compound: (1R,2S,5R,7S)-N~2~-(2,3-dimethylcyclohexyl)-N~6~-[3-(methylsulfanyl)phenyl]-3-(2-morpholinoethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

C073-3569 Screening compound: (1R,2S,5R,7S)-N~2~-(2,3-dimethylcyclohexyl)-N~6~-[3-(methylsulfanyl)phenyl]-3-(2-morpholinoethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
C073-3569 Screening compound: (1R,2S,5R,7S)-N~2~-(2,3-dimethylcyclohexyl)-N~6~-[3-(methylsulfanyl)phenyl]-3-(2-morpholinoethyl)-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 C073-3569
(1R,2S,5R,7S)-N~2~-(2,3-dimethylcyclohexyl)-N~6~-[3-(methylsulfanyl)phenyl]-3-(2-morpholinoethyl)-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

C073-3569

Molecular Formula

C31H42N4O5S (C31 H42 N4 O5 S)

Compound Name

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

IUPAC name

(5R7S)-N2-(23-dimethylcyclohexyl)-N6-[3-(methylsulfanyl)phenyl]-3-[2-(morpholin-4-yl)ethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0^{15}]dec-8-ene-26-dicarboxamide

SMILES

CC(CCC1)C(C)C1NC(C([C@]1([C@H]2C3C(Nc4cccc(SC)c4)=O)O[C@H]3C=C1)N(CCN1CCOCC1)C2=O)=O

InChI

InChI=1S/C31H42N4O5S/c1-19-6-4-9-23(20(19)2)33-29(37)27-31-11-10-24(40-31)25(28(36)32-21-7-5-8-22(18-21)41-3)26(31)30(38)35(27)13-12-34-14-16-39-17-15-34/h5,7-8,10-11,18-20,23-27H,4,6,9,12-17H2,1-3H3,(H,32,36)(H,33,37)/t19?,20?,23?,24-,25?,26-,27?,31-/m0/s1

InChI Key

OESYZHCBLYCMPU-WZCNLMSWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

582.76

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.544

Distribution Coefficient, logD

2.510

Water Solubility, LogSw

-2.89

Polar Surface Area

84.056

Acid Dissociation Constant (pKa)

9.65

Base Dissociation Constant (pKb)

6.28

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

64.50

C073-3569 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 C073-3569 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-3569
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-3569
  • 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 C073-3569 available by request