S422-0027 Screening compound: 1-[2-ethoxy-7,8-dihydro[1,6]naphthyridin-6(5H)-yl]-3-methyl-1-butanone

S422-0027 Screening compound: 1-[2-ethoxy-7,8-dihydro[1,6]naphthyridin-6(5H)-yl]-3-methyl-1-butanone
S422-0027 Screening compound: 1-[2-ethoxy-7,8-dihydro[1,6]naphthyridin-6(5H)-yl]-3-methyl-1-butanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S422-0027
1-[2-ethoxy-7,8-dihydro[1,6]naphthyridin-6(5H)-yl]-3-methyl-1-butanone

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

S422-0027

Molecular Formula

C15H22N2O2 (C15 H22 N2 O2)

Compound Name

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

IUPAC name

1-(2-ethoxy-5678-tetrahydro-16-naphthyridin-6-yl)-3-methylbutan-1-one

SMILES

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

InChI

InChI=1S/C15H22N2O2/c1-4-19-14-6-5-12-10-17(8-7-13(12)16-14)15(18)9-11(2)3/h5-6,11H,4,7-10H2,1-3H3

InChI Key

KPMHIFJVGOCMRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28993672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.993

Distribution Coefficient, logD

2.993

Water Solubility, LogSw

-3.10

Polar Surface Area

33.433

Acid Dissociation Constant (pKa)

23.97

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

S422-0027 in Drug Discovery

Included in Screening Libraries

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S422-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S422-0027?
Check Price and Availability of S422-0027, 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 S422-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S422-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S422-0027
  • 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 S422-0027 available by request