S032-1789 Screening compound: N-{(1R,4R,6S)-2-[(3-METHYL-2-THIENYL)CARBONYL]-2-AZABICYCLO[2.2.1]HEPT-6-YL}-2-THIOPHENECARBOXAMIDE

S032-1789 Screening compound: N-{(1R,4R,6S)-2-[(3-METHYL-2-THIENYL)CARBONYL]-2-AZABICYCLO[2.2.1]HEPT-6-YL}-2-THIOPHENECARBOXAMIDE
S032-1789 Screening compound: N-{(1R,4R,6S)-2-[(3-METHYL-2-THIENYL)CARBONYL]-2-AZABICYCLO[2.2.1]HEPT-6-YL}-2-THIOPHENECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S032-1789
N-{(1R,4R,6S)-2-[(3-METHYL-2-THIENYL)CARBONYL]-2-AZABICYCLO[2.2.1]HEPT-6-YL}-2-THIOPHENECARBOXAMIDE

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

S032-1789

Molecular Formula

C17H18N2O2S2 (C17 H18 N2 O2 S2)

Compound Name

N-{(1R,4R,6S)-2-[(3-METHYL-2-THIENYL)CARBONYL]-2-AZABICYCLO[2.2.1]HEPT-6-YL}-2-THIOPHENECARBOXAMIDE

IUPAC name

n/a

SMILES

Cc1c(C(N(C[C@@H](C2)C3)[C@@H]3[C@@H]2NC(c2cccs2)=O)=O)scc1

InChI

InChI=1S/C17H18N2O2S2/c1-10-4-6-23-15(10)17(21)19-9-11-7-12(13(19)8-11)18-16(20)14-3-2-5-22-14/h2-6,11-13H,7-9H2,1H3,(H,18,20)/t11-,12+,13-/m0/s1

InChI Key

RPZMXAKVPQFDND-XQQFMLRXSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.177

Distribution Coefficient, logD

3.177

Water Solubility, LogSw

-3.29

Polar Surface Area

43.135

Acid Dissociation Constant (pKa)

15.00

Base Dissociation Constant (pKb)

-1.82

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

41.20

S032-1789 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

GPCR Targeted Library (31838 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 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

Therapeutical areas:
  • Nervous system
  • 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
  • Cancer
Targets:
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands
  • Epigenetic
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S032-1789 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S032-1789?
Check Price and Availability of S032-1789, 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 S032-1789 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S032-1789
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S032-1789
  • 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 S032-1789 available by request