S789-0354 Screening compound: N~1~-[(1S)-1-benzyl-2-oxo-2-(5-oxo-1-oxa-4,8-diazacycloundecanyl)ethyl]-2-(3-methoxyphenyl)acetamide

S789-0354 Screening compound: N~1~-[(1S)-1-benzyl-2-oxo-2-(5-oxo-1-oxa-4,8-diazacycloundecanyl)ethyl]-2-(3-methoxyphenyl)acetamide
S789-0354 Screening compound: N~1~-[(1S)-1-benzyl-2-oxo-2-(5-oxo-1-oxa-4,8-diazacycloundecanyl)ethyl]-2-(3-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S789-0354
N~1~-[(1S)-1-benzyl-2-oxo-2-(5-oxo-1-oxa-4,8-diazacycloundecanyl)ethyl]-2-(3-methoxyphenyl)acetamide

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

S789-0354

Molecular Formula

C26H33N3O5 (C26 H33 N3 O5)

Compound Name

N~1~-[(1S)-1-benzyl-2-oxo-2-(5-oxo-1-oxa-4,8-diazacycloundecanyl)ethyl]-2-(3-methoxyphenyl)acetamide

IUPAC name

2-(3-methoxyphenyl)-N-[(2S)-1-oxo-1-(5-oxo-1-oxa-48-diazacycloundecan-8-yl)-3-phenylpropan-2-yl]acetamide

SMILES

COc1cccc(CC(N[C@@H](Cc2ccccc2)C(N(CCCOCCN2)CCC2=O)=O)=O)c1

InChI

InChI=1S/C26H33N3O5/c1-33-22-10-5-9-21(17-22)19-25(31)28-23(18-20-7-3-2-4-8-20)26(32)29-13-6-15-34-16-12-27-24(30)11-14-29/h2-5,7-10,17,23H,6,11-16,18-19H2,1H3,(H,27,30)(H,28,31)/t23-/m0/s1

InChI Key

PQDUYQYBWDDCFJ-QHCPKHFHSA-N

MDL Number (MFCD)

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

1.367

Distribution Coefficient, logD

1.367

Water Solubility, LogSw

-1.93

Polar Surface Area

81.524

Acid Dissociation Constant (pKa)

11.91

Base Dissociation Constant (pKb)

3.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.31

S789-0354 in Drug Discovery

Included in Screening Libraries

Macrocycles Library (2450 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with S789-0354 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S789-0354?
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What is the minimum amount of S789-0354 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S789-0354
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S789-0354
  • 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 S789-0354 available by request