S796-0493 Screening compound: 2,5-dimethoxy-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundecan-1-yl)ethyl]benzene-1-sulfonamide

S796-0493 Screening compound: 2,5-dimethoxy-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundecan-1-yl)ethyl]benzene-1-sulfonamide
S796-0493 Screening compound: 2,5-dimethoxy-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundecan-1-yl)ethyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S796-0493
2,5-dimethoxy-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundecan-1-yl)ethyl]benzene-1-sulfonamide

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

S796-0493

Molecular Formula

C25H33N3O6S (C25 H33 N3 O6 S)

Compound Name

2,5-dimethoxy-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundecan-1-yl)ethyl]benzene-1-sulfonamide

IUPAC name

25-dimethoxy-N-[2-oxo-2-(4-oxo-2-phenyl-15-diazacycloundecan-1-yl)ethyl]benzene-1-sulfonamide

SMILES

COc(cc1)cc(S(NCC(N(CCCCCCNC(C2)=O)C2c2ccccc2)=O)(=O)=O)c1OC

InChI

InChI=1S/C25H33N3O6S/c1-33-20-12-13-22(34-2)23(16-20)35(31,32)27-18-25(30)28-15-9-4-3-8-14-26-24(29)17-21(28)19-10-6-5-7-11-19/h5-7,10-13,16,21,27H,3-4,8-9,14-15,17-18H2,1-2H3,(H,26,29)/t21-/m0/s1

InChI Key

QCABAYJQNHQGON-NRFANRHFSA-N

MDL Number (MFCD)

MFCD30464198

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.62

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.288

Distribution Coefficient, logD

2.286

Water Solubility, LogSw

-2.95

Polar Surface Area

98.340

Acid Dissociation Constant (pKa)

9.85

Base Dissociation Constant (pKb)

-0.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

S796-0493 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 S796-0493 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S796-0493?
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What is the minimum amount of S796-0493 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S796-0493
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S796-0493
  • 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 S796-0493 available by request