S422-0070 Screening compound: 2-ethoxy-N-ethyl-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carboxamide

S422-0070 Screening compound: 2-ethoxy-N-ethyl-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carboxamide
S422-0070 Screening compound: 2-ethoxy-N-ethyl-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S422-0070
2-ethoxy-N-ethyl-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carboxamide

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

S422-0070

Molecular Formula

C13H19N3O2 (C13 H19 N3 O2)

Compound Name

2-ethoxy-N-ethyl-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carboxamide

IUPAC name

2-ethoxy-N-ethyl-5678-tetrahydro-16-naphthyridine-6-carboxamide

SMILES

CCNC(N(CC1)Cc(cc2)c1nc2OCC)=O

InChI

InChI=1S/C13H19N3O2/c1-3-14-13(17)16-8-7-11-10(9-16)5-6-12(15-11)18-4-2/h5-6H,3-4,7-9H2,1-2H3,(H,14,17)

InChI Key

XQBKYXGLGNXBQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30462471

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

249.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.952

Distribution Coefficient, logD

1.952

Water Solubility, LogSw

-2.43

Polar Surface Area

43.730

Acid Dissociation Constant (pKa)

16.70

Base Dissociation Constant (pKb)

3.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.85

S422-0070 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 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
Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with S422-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S422-0070?
Check Price and Availability of S422-0070, 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 S422-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S422-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S422-0070
  • 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 S422-0070 available by request