S035-0531 Screening compound: N~1~-{(1S,4S,5S)-2-[2-(4-fluorophenoxy)acetyl]-2-azabicyclo[2.2.1]hept-5-yl}-1-benzenesulfonamide

S035-0531 Screening compound: N~1~-{(1S,4S,5S)-2-[2-(4-fluorophenoxy)acetyl]-2-azabicyclo[2.2.1]hept-5-yl}-1-benzenesulfonamide
S035-0531 Screening compound: N~1~-{(1S,4S,5S)-2-[2-(4-fluorophenoxy)acetyl]-2-azabicyclo[2.2.1]hept-5-yl}-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S035-0531
N~1~-{(1S,4S,5S)-2-[2-(4-fluorophenoxy)acetyl]-2-azabicyclo[2.2.1]hept-5-yl}-1-benzenesulfonamide

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

S035-0531

Molecular Formula

C20H21FN2O4S (C20 H21 FN2 O4 S)

Compound Name

N~1~-{(1S,4S,5S)-2-[2-(4-fluorophenoxy)acetyl]-2-azabicyclo[2.2.1]hept-5-yl}-1-benzenesulfonamide

IUPAC name

N-[(1S4S5S)-2-[2-(4-fluorophenoxy)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide

SMILES

O=C(COc(cc1)ccc1F)N(C[C@@H]1C2)[C@@H]2C[C@@H]1NS(c1ccccc1)(=O)=O

InChI

InChI=1S/C20H21FN2O4S/c21-15-6-8-17(9-7-15)27-13-20(24)23-12-14-10-16(23)11-19(14)22-28(25,26)18-4-2-1-3-5-18/h1-9,14,16,19,22H,10-13H2/t14-,16-,19-/m0/s1

InChI Key

FMDVFNMJUOKBSH-QOKNQOGYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.549

Distribution Coefficient, logD

2.549

Water Solubility, LogSw

-2.88

Polar Surface Area

65.805

Acid Dissociation Constant (pKa)

11.30

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

35.00

S035-0531 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
  • Cancer
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S035-0531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S035-0531?
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What is the minimum amount of S035-0531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S035-0531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S035-0531
  • 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 S035-0531 available by request