S422-0094 Screening compound: 2-ethoxy-6-(oxane-4-carbonyl)-5,6,7,8-tetrahydro-1,6-naphthyridine

S422-0094 Screening compound: 2-ethoxy-6-(oxane-4-carbonyl)-5,6,7,8-tetrahydro-1,6-naphthyridine
S422-0094 Screening compound: 2-ethoxy-6-(oxane-4-carbonyl)-5,6,7,8-tetrahydro-1,6-naphthyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S422-0094
2-ethoxy-6-(oxane-4-carbonyl)-5,6,7,8-tetrahydro-1,6-naphthyridine

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

S422-0094

Molecular Formula

C16H22N2O3 (C16 H22 N2 O3)

Compound Name

2-ethoxy-6-(oxane-4-carbonyl)-5,6,7,8-tetrahydro-1,6-naphthyridine

IUPAC name

2-ethoxy-6-(oxane-4-carbonyl)-5678-tetrahydro-16-naphthyridine

SMILES

CCOc1nc(CCN(C2)C(C3CCOCC3)=O)c2cc1

InChI

InChI=1S/C16H22N2O3/c1-2-21-15-4-3-13-11-18(8-5-14(13)17-15)16(19)12-6-9-20-10-7-12/h3-4,12H,2,5-11H2,1H3

InChI Key

ISXSAGYELHPKLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30462472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.234

Distribution Coefficient, logD

2.234

Water Solubility, LogSw

-2.37

Polar Surface Area

41.790

Acid Dissociation Constant (pKa)

22.79

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

S422-0094 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S422-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S422-0094?
Check Price and Availability of S422-0094, 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 S422-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S422-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S422-0094
  • 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 S422-0094 available by request