S035-1593 Screening compound: N-{(1S,4S,5S)-2-[2-(4-methoxyphenyl)acetyl]-2-azabicyclo[2.2.1]hept-5-yl}methanesulfonamide

S035-1593 Screening compound: N-{(1S,4S,5S)-2-[2-(4-methoxyphenyl)acetyl]-2-azabicyclo[2.2.1]hept-5-yl}methanesulfonamide
S035-1593 Screening compound: N-{(1S,4S,5S)-2-[2-(4-methoxyphenyl)acetyl]-2-azabicyclo[2.2.1]hept-5-yl}methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S035-1593
N-{(1S,4S,5S)-2-[2-(4-methoxyphenyl)acetyl]-2-azabicyclo[2.2.1]hept-5-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

S035-1593

Molecular Formula

C16H22N2O4S (C16 H22 N2 O4 S)

Compound Name

N-{(1S,4S,5S)-2-[2-(4-methoxyphenyl)acetyl]-2-azabicyclo[2.2.1]hept-5-yl}methanesulfonamide

IUPAC name

n/a

SMILES

COc1ccc(CC(N(C[C@@H]2C3)[C@@H]3C[C@@H]2NS(C)(=O)=O)=O)cc1

InChI

InChI=1S/C16H22N2O4S/c1-22-14-5-3-11(4-6-14)7-16(19)18-10-12-8-13(18)9-15(12)17-23(2,20)21/h3-6,12-13,15,17H,7-10H2,1-2H3/t12-,13-,15-/m0/s1

InChI Key

OFLXWKYQJQQLOO-YDHLFZDLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.43

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

1.109

Distribution Coefficient, logD

1.109

Water Solubility, LogSw

-2.25

Polar Surface Area

67.067

Acid Dissociation Constant (pKa)

11.70

Base Dissociation Constant (pKb)

-3.10

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

56.30

S035-1593 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with S035-1593 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S035-1593?
Check Price and Availability of S035-1593, 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 S035-1593 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S035-1593
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S035-1593
  • 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 S035-1593 available by request