S035-1746 Screening compound: N-[(1S,4S,5S)-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonyl)-2-azabicyclo[2.2.1]hept-5-yl]methanesulfonamide

S035-1746 Screening compound: N-[(1S,4S,5S)-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonyl)-2-azabicyclo[2.2.1]hept-5-yl]methanesulfonamide
S035-1746 Screening compound: N-[(1S,4S,5S)-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonyl)-2-azabicyclo[2.2.1]hept-5-yl]methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S035-1746
N-[(1S,4S,5S)-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonyl)-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

S035-1746

Molecular Formula

C16H22N2O3S2 (C16 H22 N2 O3 S2)

Compound Name

N-[(1S,4S,5S)-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonyl)-2-azabicyclo[2.2.1]hept-5-yl]methanesulfonamide

IUPAC name

N-[(1S4S5S)-2-(4567-tetrahydro-1-benzothiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide

SMILES

CS(N[C@@H](C[C@@H]1C2)[C@@H]2CN1C(c1cc(CCCC2)c2s1)=O)(=O)=O

InChI

InChI=1S/C16H22N2O3S2/c1-23(20,21)17-13-8-12-6-11(13)9-18(12)16(19)15-7-10-4-2-3-5-14(10)22-15/h7,11-13,17H,2-6,8-9H2,1H3/t11-,12-,13-/m0/s1

InChI Key

DXRANNMCJMMICU-AVGNSLFASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.190

Distribution Coefficient, logD

2.190

Water Solubility, LogSw

-2.58

Polar Surface Area

60.990

Acid Dissociation Constant (pKa)

11.70

Base Dissociation Constant (pKb)

-4.25

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

68.75

S035-1746 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 S035-1746 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S035-1746?
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What is the minimum amount of S035-1746 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S035-1746
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S035-1746
  • 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 S035-1746 available by request