S734-1059 Screening compound: 3-fluoro-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]benzene-1-sulfonamide

S734-1059 Screening compound: 3-fluoro-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]benzene-1-sulfonamide
S734-1059 Screening compound: 3-fluoro-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S734-1059
3-fluoro-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-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

S734-1059

Molecular Formula

C22H26FN3O4S (C22 H26 FN3 O4 S)

Compound Name

3-fluoro-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]benzene-1-sulfonamide

IUPAC name

3-fluoro-N-[2-oxo-2-(4-oxo-2-phenyl-15-diazecan-1-yl)ethyl]benzene-1-sulfonamide

SMILES

O=C(CNS(c1cc(F)ccc1)(=O)=O)N(CCCCCNC(C1)=O)C1c1ccccc1

InChI

InChI=1S/C22H26FN3O4S/c23-18-10-7-11-19(14-18)31(29,30)25-16-22(28)26-13-6-2-5-12-24-21(27)15-20(26)17-8-3-1-4-9-17/h1,3-4,7-11,14,20,25H,2,5-6,12-13,15-16H2,(H,24,27)/t20-/m0/s1

InChI Key

ZFHXJGUOYRNTMQ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD30462042

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.993

Distribution Coefficient, logD

1.991

Water Solubility, LogSw

-2.76

Polar Surface Area

83.166

Acid Dissociation Constant (pKa)

9.85

Base Dissociation Constant (pKb)

-0.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.36

S734-1059 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 S734-1059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S734-1059?
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What is the minimum amount of S734-1059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S734-1059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S734-1059
  • 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 S734-1059 available by request