S422-0054 Screening compound: 1-(2-ethoxy-5,6,7,8-tetrahydro-1,6-naphthyridin-6-yl)-2-(1H-indol-3-yl)ethan-1-one

S422-0054 Screening compound: 1-(2-ethoxy-5,6,7,8-tetrahydro-1,6-naphthyridin-6-yl)-2-(1H-indol-3-yl)ethan-1-one
S422-0054 Screening compound: 1-(2-ethoxy-5,6,7,8-tetrahydro-1,6-naphthyridin-6-yl)-2-(1H-indol-3-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S422-0054
1-(2-ethoxy-5,6,7,8-tetrahydro-1,6-naphthyridin-6-yl)-2-(1H-indol-3-yl)ethan-1-one

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

S422-0054

Molecular Formula

C20H21N3O2 (C20 H21 N3 O2)

Compound Name

1-(2-ethoxy-5,6,7,8-tetrahydro-1,6-naphthyridin-6-yl)-2-(1H-indol-3-yl)ethan-1-one

IUPAC name

1-(2-ethoxy-5678-tetrahydro-16-naphthyridin-6-yl)-2-(1H-indol-3-yl)ethan-1-one

SMILES

CCOc1nc(CCN(C2)C(Cc3c[nH]c4c3cccc4)=O)c2cc1

InChI

InChI=1S/C20H21N3O2/c1-2-25-19-8-7-14-13-23(10-9-17(14)22-19)20(24)11-15-12-21-18-6-4-3-5-16(15)18/h3-8,12,21H,2,9-11,13H2,1H3

InChI Key

IFAHDOAGZRCEIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29005100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.41

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

3.469

Distribution Coefficient, logD

3.469

Water Solubility, LogSw

-3.46

Polar Surface Area

43.033

Acid Dissociation Constant (pKa)

17.51

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

S422-0054 in Drug Discovery

Included in Screening Libraries

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

Indole Derivatives (10091 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:
  • Cyclic compounds
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with S422-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S422-0054?
Check Price and Availability of S422-0054, 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 S422-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S422-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S422-0054
  • 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 S422-0054 available by request