S035-0495 Screening compound: N-[2-(1H-indole-3-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide

S035-0495 Screening compound: N-[2-(1H-indole-3-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide
S035-0495 Screening compound: N-[2-(1H-indole-3-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S035-0495
N-[2-(1H-indole-3-carbonyl)-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

S035-0495

Molecular Formula

C21H21N3O3S (C21 H21 N3 O3 S)

Compound Name

N-[2-(1H-indole-3-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide

IUPAC name

N-[(1S4S5S)-2-(1H-indole-3-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide

SMILES

O=C(c1c[nH]c2c1cccc2)N(C[C@@H]1C2)[C@@H]2C[C@@H]1NS(c1ccccc1)(=O)=O

InChI

InChI=1S/C21H21N3O3S/c25-21(18-12-22-19-9-5-4-8-17(18)19)24-13-14-10-15(24)11-20(14)23-28(26,27)16-6-2-1-3-7-16/h1-9,12,14-15,20,22-23H,10-11,13H2/t14-,15-,20-/m0/s1

InChI Key

HLOCUIFAKYXHQI-AVYPCKFXSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.130

Distribution Coefficient, logD

3.130

Water Solubility, LogSw

-3.54

Polar Surface Area

68.704

Acid Dissociation Constant (pKa)

11.30

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

28.60

S035-0495 in Drug Discovery

Included in Screening Libraries

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

Indole Derivatives (10091 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 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

Structure:
  • Cyclic compounds
  • Cyclic compounds
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with S035-0495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S035-0495?
Check Price and Availability of S035-0495, 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 S035-0495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S035-0495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S035-0495
  • 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 S035-0495 available by request