S747-0550 Screening compound: 5-[(1-METHYL-1H-IMIDAZOL-4-YL)SULFONYL]-9-(3-PHENYL-1,2,4-OXADIAZOL-5-YL)-1,5-DIAZACYCLOUNDECAN-2-ONE

S747-0550 Screening compound: 5-[(1-METHYL-1H-IMIDAZOL-4-YL)SULFONYL]-9-(3-PHENYL-1,2,4-OXADIAZOL-5-YL)-1,5-DIAZACYCLOUNDECAN-2-ONE
S747-0550 Screening compound: 5-[(1-METHYL-1H-IMIDAZOL-4-YL)SULFONYL]-9-(3-PHENYL-1,2,4-OXADIAZOL-5-YL)-1,5-DIAZACYCLOUNDECAN-2-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound S747-0550
5-[(1-METHYL-1H-IMIDAZOL-4-YL)SULFONYL]-9-(3-PHENYL-1,2,4-OXADIAZOL-5-YL)-1,5-DIAZACYCLOUNDECAN-2-ONE

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

S747-0550

Molecular Formula

C21H26N6O4S (C21 H26 N6 O4 S)

Compound Name

5-[(1-METHYL-1H-IMIDAZOL-4-YL)SULFONYL]-9-(3-PHENYL-1,2,4-OXADIAZOL-5-YL)-1,5-DIAZACYCLOUNDECAN-2-ONE

IUPAC name

5-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-9-(3-phenyl-124-oxadiazol-5-yl)-15-diazacycloundecan-2-one

SMILES

Cn1cnc(S(N(CCCC(CCN2)c3nc(-c4ccccc4)no3)CCC2=O)(=O)=O)c1

InChI

InChI=1S/C21H26N6O4S/c1-26-14-19(23-15-26)32(29,30)27-12-5-8-17(9-11-22-18(28)10-13-27)21-24-20(25-31-21)16-6-3-2-4-7-16/h2-4,6-7,14-15,17H,5,8-13H2,1H3,(H,22,28)/t17-/m0/s1

InChI Key

AZBRYJUQEWPKMB-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD30461179

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.371

Distribution Coefficient, logD

1.371

Water Solubility, LogSw

-2.31

Polar Surface Area

101.121

Acid Dissociation Constant (pKa)

13.91

Base Dissociation Constant (pKb)

-0.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

S747-0550 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 S747-0550 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S747-0550?
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What is the minimum amount of S747-0550 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S747-0550
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S747-0550
  • 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 S747-0550 available by request