S035-0458 Screening compound: N-{2-[2-(3-methoxyphenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl}benzenesulfonamide

S035-0458 Screening compound: N-{2-[2-(3-methoxyphenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl}benzenesulfonamide
S035-0458 Screening compound: N-{2-[2-(3-methoxyphenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl}benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S035-0458
N-{2-[2-(3-methoxyphenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl}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

S035-0458

Molecular Formula

C21H24N2O4S (C21 H24 N2 O4 S)

Compound Name

N-{2-[2-(3-methoxyphenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl}benzenesulfonamide

IUPAC name

N-[(1S4S5S)-2-[2-(3-methoxyphenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide

SMILES

COc1cccc(CC(N(C[C@@H]2C3)[C@@H]3C[C@@H]2NS(c2ccccc2)(=O)=O)=O)c1

InChI

InChI=1S/C21H24N2O4S/c1-27-18-7-5-6-15(10-18)11-21(24)23-14-16-12-17(23)13-20(16)22-28(25,26)19-8-3-2-4-9-19/h2-10,16-17,20,22H,11-14H2,1H3/t16-,17-,20-/m0/s1

InChI Key

UBBDVZXISQGRDS-ZWOKBUDYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.5

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

2.908

Distribution Coefficient, logD

2.908

Water Solubility, LogSw

-3.62

Polar Surface Area

65.850

Acid Dissociation Constant (pKa)

11.30

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

38.10

S035-0458 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 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 S035-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S035-0458?
Check Price and Availability of S035-0458, 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 S035-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S035-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S035-0458
  • 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 S035-0458 available by request