S033-1728 Screening compound: N-{2-[2-(phenylsulfanyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl}methanesulfonamide

S033-1728 Screening compound: N-{2-[2-(phenylsulfanyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl}methanesulfonamide
S033-1728 Screening compound: N-{2-[2-(phenylsulfanyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl}methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S033-1728
N-{2-[2-(phenylsulfanyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl}methanesulfonamide

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

S033-1728

Molecular Formula

C15H20N2O3S2 (C15 H20 N2 O3 S2)

Compound Name

N-{2-[2-(phenylsulfanyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl}methanesulfonamide

IUPAC name

N-[(1R4S6S)-2-[2-(phenylsulfanyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]methanesulfonamide

SMILES

CS(N[C@H](C[C@@H](C1)C2)[C@H]1N2C(CSc1ccccc1)=O)(=O)=O

InChI

InChI=1S/C15H20N2O3S2/c1-22(19,20)16-13-7-11-8-14(13)17(9-11)15(18)10-21-12-5-3-2-4-6-12/h2-6,11,13-14,16H,7-10H2,1H3/t11-,13+,14-/m0/s1

InChI Key

VYKKLKSCSGIFFJ-YUTCNCBUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.596

Distribution Coefficient, logD

1.596

Water Solubility, LogSw

-2.37

Polar Surface Area

59.347

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

-6.35

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

53.30

S033-1728 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with S033-1728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S033-1728?
Check Price and Availability of S033-1728, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S033-1728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S033-1728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S033-1728
  • 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 S033-1728 available by request