S422-0004 Screening compound: [2-ethoxy-7,8-dihydro[1,6]naphthyridin-6(5H)-yl](3-furyl)methanone

S422-0004 Screening compound: [2-ethoxy-7,8-dihydro[1,6]naphthyridin-6(5H)-yl](3-furyl)methanone
S422-0004 Screening compound: [2-ethoxy-7,8-dihydro[1,6]naphthyridin-6(5H)-yl](3-furyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S422-0004
[2-ethoxy-7,8-dihydro[1,6]naphthyridin-6(5H)-yl](3-furyl)methanone

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

S422-0004

Molecular Formula

C15H16N2O3 (C15 H16 N2 O3)

Compound Name

[2-ethoxy-7,8-dihydro[1,6]naphthyridin-6(5H)-yl](3-furyl)methanone

IUPAC name

n/a

SMILES

CCOc1nc(CCN(C2)C(c3cocc3)=O)c2cc1

InChI

InChI=1S/C15H16N2O3/c1-2-20-14-4-3-11-9-17(7-5-13(11)16-14)15(18)12-6-8-19-10-12/h3-4,6,8,10H,2,5,7,9H2,1H3

InChI Key

HBUVRHGBBNPECB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28993675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

272.3

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

2.277

Distribution Coefficient, logD

2.277

Water Solubility, LogSw

-2.43

Polar Surface Area

41.492

Acid Dissociation Constant (pKa)

22.83

Base Dissociation Constant (pKb)

1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

S422-0004 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

GPCR Targeted Library (31838 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with S422-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S422-0004?
Check Price and Availability of S422-0004, 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 S422-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S422-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S422-0004
  • 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 S422-0004 available by request