S033-1746 Screening compound: N-[(1R,4S,6S)-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonyl)-2-azabicyclo[2.2.1]hept-6-yl]methanesulfonamide

S033-1746 Screening compound: N-[(1R,4S,6S)-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonyl)-2-azabicyclo[2.2.1]hept-6-yl]methanesulfonamide
S033-1746 Screening compound: N-[(1R,4S,6S)-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonyl)-2-azabicyclo[2.2.1]hept-6-yl]methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S033-1746
N-[(1R,4S,6S)-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonyl)-2-azabicyclo[2.2.1]hept-6-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

S033-1746

Molecular Formula

C16H22N2O3S2 (C16 H22 N2 O3 S2)

Compound Name

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

IUPAC name

n/a

SMILES

CS(N[C@H](C[C@@H](C1)C2)[C@H]1N2C(c1cc(CCCC2)c2s1)=O)(=O)=O

InChI

InChI=1S/C16H22N2O3S2/c1-23(20,21)17-12-6-10-7-13(12)18(9-10)16(19)15-8-11-4-2-3-5-14(11)22-15/h8,10,12-13,17H,2-7,9H2,1H3/t10-,12+,13-/m0/s1

InChI Key

UFXAWBAXXYXQOO-UHTWSYAYSA-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

2.413

Distribution Coefficient, logD

2.413

Water Solubility, LogSw

-2.62

Polar Surface Area

60.814

Acid Dissociation Constant (pKa)

11.76

Base Dissociation Constant (pKb)

-7.34

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

68.80

S033-1746 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

GPCR Targeted Library (31838 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epigenetics Focused Set (26518 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands
  • Epigenetic
  • PPI modulators
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S033-1746 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S033-1746?
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What is the minimum amount of S033-1746 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S033-1746
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S033-1746
  • 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 S033-1746 available by request