S032-0987 Screening compound: N~1~-[(1R,4R,6S)-2-(3-thienylcarbonyl)-2-azabicyclo[2.2.1]hept-6-yl]benzamide

S032-0987 Screening compound: N~1~-[(1R,4R,6S)-2-(3-thienylcarbonyl)-2-azabicyclo[2.2.1]hept-6-yl]benzamide
S032-0987 Screening compound: N~1~-[(1R,4R,6S)-2-(3-thienylcarbonyl)-2-azabicyclo[2.2.1]hept-6-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S032-0987
N~1~-[(1R,4R,6S)-2-(3-thienylcarbonyl)-2-azabicyclo[2.2.1]hept-6-yl]benzamide

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

S032-0987

Molecular Formula

C18H18N2O2S (C18 H18 N2 O2 S)

Compound Name

N~1~-[(1R,4R,6S)-2-(3-thienylcarbonyl)-2-azabicyclo[2.2.1]hept-6-yl]benzamide

IUPAC name

n/a

SMILES

O=C(c1cscc1)N(C[C@@H](C1)C2)[C@@H]2[C@@H]1NC(c1ccccc1)=O

InChI

InChI=1S/C18H18N2O2S/c21-17(13-4-2-1-3-5-13)19-15-8-12-9-16(15)20(10-12)18(22)14-6-7-23-11-14/h1-7,11-12,15-16H,8-10H2,(H,19,21)/t12-,15+,16-/m0/s1

InChI Key

BHVDUIPNLQSLOF-MAZHCROVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.42

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

2.643

Distribution Coefficient, logD

2.643

Water Solubility, LogSw

-3.05

Polar Surface Area

42.117

Acid Dissociation Constant (pKa)

14.04

Base Dissociation Constant (pKb)

-3.53

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

33.30

S032-0987 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 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:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
  • Cancer
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S032-0987 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S032-0987?
Check Price and Availability of S032-0987, 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 S032-0987 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S032-0987
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S032-0987
  • 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 S032-0987 available by request