S733-2155 Screening compound: 1-benzoyl-N-[2-(2-methoxyphenoxy)ethyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide

S733-2155 Screening compound: 1-benzoyl-N-[2-(2-methoxyphenoxy)ethyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide
S733-2155 Screening compound: 1-benzoyl-N-[2-(2-methoxyphenoxy)ethyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S733-2155
1-benzoyl-N-[2-(2-methoxyphenoxy)ethyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide

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

S733-2155

Molecular Formula

C26H33N3O5 (C26 H33 N3 O5)

Compound Name

1-benzoyl-N-[2-(2-methoxyphenoxy)ethyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide

IUPAC name

1-benzoyl-N-[2-(2-methoxyphenoxy)ethyl]-4-oxo-15-diazacycloundecane-8-carboxamide

SMILES

COc(cccc1)c1OCCNC(C(CCCN(CC1)C(c2ccccc2)=O)CCNC1=O)=O

InChI

InChI=1S/C26H33N3O5/c1-33-22-11-5-6-12-23(22)34-19-16-28-25(31)20-10-7-17-29(18-14-24(30)27-15-13-20)26(32)21-8-3-2-4-9-21/h2-6,8-9,11-12,20H,7,10,13-19H2,1H3,(H,27,30)(H,28,31)/t20-/m0/s1

InChI Key

BFMDARGJOWVYNS-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD30460881

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.193

Distribution Coefficient, logD

1.193

Water Solubility, LogSw

-1.88

Polar Surface Area

81.631

Acid Dissociation Constant (pKa)

14.27

Base Dissociation Constant (pKb)

5.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.31

S733-2155 in Drug Discovery

Included in Screening Libraries

Macrocycles Library (2450 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S733-2155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S733-2155?
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What is the minimum amount of S733-2155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S733-2155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S733-2155
  • 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 S733-2155 available by request