S034-1791 Screening compound: N~2~-[(1S,4S,5S)-2-(4-ethoxybenzoyl)-2-azabicyclo[2.2.1]hept-5-yl]-2-thiophenecarboxamide

S034-1791 Screening compound: N~2~-[(1S,4S,5S)-2-(4-ethoxybenzoyl)-2-azabicyclo[2.2.1]hept-5-yl]-2-thiophenecarboxamide
S034-1791 Screening compound: N~2~-[(1S,4S,5S)-2-(4-ethoxybenzoyl)-2-azabicyclo[2.2.1]hept-5-yl]-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S034-1791
N~2~-[(1S,4S,5S)-2-(4-ethoxybenzoyl)-2-azabicyclo[2.2.1]hept-5-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

S034-1791

Molecular Formula

C20H22N2O3S (C20 H22 N2 O3 S)

Compound Name

N~2~-[(1S,4S,5S)-2-(4-ethoxybenzoyl)-2-azabicyclo[2.2.1]hept-5-yl]-2-thiophenecarboxamide

IUPAC name

n/a

SMILES

CCOc(cc1)ccc1C(N(C[C@@H]1C2)[C@@H]2C[C@@H]1NC(c1cccs1)=O)=O

InChI

InChI=1S/C20H22N2O3S/c1-2-25-16-7-5-13(6-8-16)20(24)22-12-14-10-15(22)11-17(14)21-19(23)18-4-3-9-26-18/h3-9,14-15,17H,2,10-12H2,1H3,(H,21,23)/t14-,15-,17-/m0/s1

InChI Key

IVJRTKIMZOGWHC-ZOBUZTSGSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.044

Distribution Coefficient, logD

3.044

Water Solubility, LogSw

-3.35

Polar Surface Area

49.417

Acid Dissociation Constant (pKa)

16.13

Base Dissociation Constant (pKb)

1.38

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

40.00

S034-1791 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Spiro Library (21655 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:
  • Cancer

References: we are preparing a list of scientific research reports with S034-1791 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S034-1791?
Check Price and Availability of S034-1791, 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 S034-1791 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S034-1791
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S034-1791
  • 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 S034-1791 available by request