S033-1628 Screening compound: N-{(1R,4S,6S)-2-[(5-METHYL-2-THIENYL)CARBONYL]-2-AZABICYCLO[2.2.1]HEPT-6-YL}METHANESULFONAMIDE

S033-1628 Screening compound: N-{(1R,4S,6S)-2-[(5-METHYL-2-THIENYL)CARBONYL]-2-AZABICYCLO[2.2.1]HEPT-6-YL}METHANESULFONAMIDE
S033-1628 Screening compound: N-{(1R,4S,6S)-2-[(5-METHYL-2-THIENYL)CARBONYL]-2-AZABICYCLO[2.2.1]HEPT-6-YL}METHANESULFONAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S033-1628
N-{(1R,4S,6S)-2-[(5-METHYL-2-THIENYL)CARBONYL]-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

S033-1628

Molecular Formula

C13H18N2O3S2 (C13 H18 N2 O3 S2)

Compound Name

N-{(1R,4S,6S)-2-[(5-METHYL-2-THIENYL)CARBONYL]-2-AZABICYCLO[2.2.1]HEPT-6-YL}METHANESULFONAMIDE

IUPAC name

n/a

SMILES

Cc1ccc(C(N(C[C@@H](C2)C3)[C@@H]3[C@@H]2NS(C)(=O)=O)=O)s1

InChI

InChI=1S/C13H18N2O3S2/c1-8-3-4-12(19-8)13(16)15-7-9-5-10(11(15)6-9)14-20(2,17)18/h3-4,9-11,14H,5-7H2,1-2H3/t9-,10+,11-/m0/s1

InChI Key

HAFQJQJMQMWEHO-AXFHLTTASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.43

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

1.835

Distribution Coefficient, logD

1.835

Water Solubility, LogSw

-2.45

Polar Surface Area

60.893

Acid Dissociation Constant (pKa)

11.76

Base Dissociation Constant (pKb)

-7.02

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

61.50

S033-1628 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiparasite Library (23996 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)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro
Targets:
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S033-1628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S033-1628?
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What is the minimum amount of S033-1628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S033-1628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S033-1628
  • 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 S033-1628 available by request