S763-0561 Screening compound: 4-({9-oxo-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-tetradecahydrocyclopenta[b]1,5-diazacycloundecan-1-yl}sulfonyl)benzonitrile

S763-0561 Screening compound: 4-({9-oxo-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-tetradecahydrocyclopenta[b]1,5-diazacycloundecan-1-yl}sulfonyl)benzonitrile
S763-0561 Screening compound: 4-({9-oxo-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-tetradecahydrocyclopenta[b]1,5-diazacycloundecan-1-yl}sulfonyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound S763-0561
4-({9-oxo-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-tetradecahydrocyclopenta[b]1,5-diazacycloundecan-1-yl}sulfonyl)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

S763-0561

Molecular Formula

C26H28N6O4S (C26 H28 N6 O4 S)

Compound Name

4-({9-oxo-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-tetradecahydrocyclopenta[b]1,5-diazacycloundecan-1-yl}sulfonyl)benzonitrile

IUPAC name

4-{[(9aR11R12aS)-9-oxo-11-[3-(pyridin-3-yl)-124-oxadiazol-5-yl]-tetradecahydrocyclopenta[b]15-diazacycloundecan-1-yl]sulfonyl}benzonitrile

SMILES

N#Cc(cc1)ccc1S(N(CCCCCCN1)[C@@H](C[C@@H](C2)c3nc(-c4cnccc4)no3)[C@@H]2C1=O)(=O)=O

InChI

InChI=1S/C26H28N6O4S/c27-16-18-7-9-21(10-8-18)37(34,35)32-13-4-2-1-3-12-29-25(33)22-14-20(15-23(22)32)26-30-24(31-36-26)19-6-5-11-28-17-19/h5-11,17,20,22-23H,1-4,12-15H2,(H,29,33)/t20-,22+,23-/m0/s1

InChI Key

RBWNGHJDTTXMMB-WWNPGLIZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.61

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.074

Distribution Coefficient, logD

2.436

Water Solubility, LogSw

-3.26

Polar Surface Area

115.694

Acid Dissociation Constant (pKa)

12.78

Base Dissociation Constant (pKb)

7.93

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

42.31

S763-0561 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 S763-0561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S763-0561?
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What is the minimum amount of S763-0561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S763-0561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S763-0561
  • 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 S763-0561 available by request