S035-1292 Screening compound: N-[2-(2H-1,3-benzodioxole-5-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide

S035-1292 Screening compound: N-[2-(2H-1,3-benzodioxole-5-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide
S035-1292 Screening compound: N-[2-(2H-1,3-benzodioxole-5-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S035-1292
N-[2-(2H-1,3-benzodioxole-5-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide

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

S035-1292

Molecular Formula

C18H18N2O5S2 (C18 H18 N2 O5 S2)

Compound Name

N-[2-(2H-1,3-benzodioxole-5-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide

IUPAC name

N-[(1S4S5S)-2-(2H-13-benzodioxole-5-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide

SMILES

O=C(c(cc1)cc2c1OCO2)N(C[C@@H]1C2)[C@@H]2C[C@@H]1NS(c1cccs1)(=O)=O

InChI

InChI=1S/C18H18N2O5S2/c21-18(11-3-4-15-16(7-11)25-10-24-15)20-9-12-6-13(20)8-14(12)19-27(22,23)17-2-1-5-26-17/h1-5,7,12-14,19H,6,8-10H2/t12-,13-,14-/m0/s1

InChI Key

KEBZGCKTPUIROB-IHRRRGAJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.231

Distribution Coefficient, logD

2.231

Water Solubility, LogSw

-2.92

Polar Surface Area

76.967

Acid Dissociation Constant (pKa)

10.84

Base Dissociation Constant (pKb)

-3.05

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

38.90

S035-1292 in Drug Discovery

Included in Screening Libraries

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

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

References: we are preparing a list of scientific research reports with S035-1292 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S035-1292?
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What is the minimum amount of S035-1292 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S035-1292
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S035-1292
  • 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 S035-1292 available by request