S792-0159 Screening compound: 2-({9-oxo-1-[(pyridin-4-yl)methyl]-tetradecahydro-1H-pyrido[3,4-b]1,5-diazacycloundecan-12-yl}methyl)benzonitrile

S792-0159 Screening compound: 2-({9-oxo-1-[(pyridin-4-yl)methyl]-tetradecahydro-1H-pyrido[3,4-b]1,5-diazacycloundecan-12-yl}methyl)benzonitrile
S792-0159 Screening compound: 2-({9-oxo-1-[(pyridin-4-yl)methyl]-tetradecahydro-1H-pyrido[3,4-b]1,5-diazacycloundecan-12-yl}methyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound S792-0159
2-({9-oxo-1-[(pyridin-4-yl)methyl]-tetradecahydro-1H-pyrido[3,4-b]1,5-diazacycloundecan-12-yl}methyl)benzonitrile

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

S792-0159

Molecular Formula

C26H33N5O (C26 H33 N5 O)

Compound Name

2-({9-oxo-1-[(pyridin-4-yl)methyl]-tetradecahydro-1H-pyrido[3,4-b]1,5-diazacycloundecan-12-yl}methyl)benzonitrile

IUPAC name

2-{[(9aS13aS)-9-oxo-1-[(pyridin-4-yl)methyl]-tetradecahydro-1H-pyrido[34-b]15-diazacycloundecan-12-yl]methyl}benzonitrile

SMILES

N#Cc1c(CN(CC[C@@H]23)C[C@@H]3N(Cc3ccncc3)CCCCCCNC2=O)cccc1

InChI

InChI=1S/C26H33N5O/c27-17-22-7-3-4-8-23(22)19-30-16-11-24-25(20-30)31(18-21-9-13-28-14-10-21)15-6-2-1-5-12-29-26(24)32/h3-4,7-10,13-14,24-25H,1-2,5-6,11-12,15-16,18-20H2,(H,29,32)/t24-,25+/m1/s1

InChI Key

OGDGIDQVFWZWCX-RPBOFIJWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.093

Distribution Coefficient, logD

1.593

Water Solubility, LogSw

-2.83

Polar Surface Area

58.716

Acid Dissociation Constant (pKa)

13.60

Base Dissociation Constant (pKb)

7.74

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

S792-0159 in Drug Discovery

Included in Screening Libraries

Macrocycles Library (2450 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
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S792-0159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S792-0159?
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What is the minimum amount of S792-0159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S792-0159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S792-0159
  • 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 S792-0159 available by request