S019-0023 Screening compound: 1-{3'-[(2-methoxyethyl)amino]-1'H-spiro[piperidine-3,2'-quinoxalin]-1-yl}-2-(3-methoxyphenyl)ethan-1-one

S019-0023 Screening compound: 1-{3'-[(2-methoxyethyl)amino]-1'H-spiro[piperidine-3,2'-quinoxalin]-1-yl}-2-(3-methoxyphenyl)ethan-1-one
S019-0023 Screening compound: 1-{3'-[(2-methoxyethyl)amino]-1'H-spiro[piperidine-3,2'-quinoxalin]-1-yl}-2-(3-methoxyphenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S019-0023
1-{3'-[(2-methoxyethyl)amino]-1'H-spiro[piperidine-3,2'-quinoxalin]-1-yl}-2-(3-methoxyphenyl)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

S019-0023

Molecular Formula

C24H30N4O3 (C24 H30 N4 O3)

Compound Name

1-{3'-[(2-methoxyethyl)amino]-1'H-spiro[piperidine-3,2'-quinoxalin]-1-yl}-2-(3-methoxyphenyl)ethan-1-one

IUPAC name

1-{3'-[(2-methoxyethyl)amino]-1'H-spiro[piperidine-32'-quinoxalin]-1-yl}-2-(3-methoxyphenyl)ethan-1-one

SMILES

COCCNC1=Nc(cccc2)c2NC1(CCC1)CN1C(Cc1cc(OC)ccc1)=O

InChI

InChI=1S/C24H30N4O3/c1-30-14-12-25-23-24(27-21-10-4-3-9-20(21)26-23)11-6-13-28(17-24)22(29)16-18-7-5-8-19(15-18)31-2/h3-5,7-10,15,27H,6,11-14,16-17H2,1-2H3,(H,25,26)/t24-/m0/s1

InChI Key

DOWLULJTKIFYID-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD29018763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.672

Distribution Coefficient, logD

2.672

Water Solubility, LogSw

-3.14

Polar Surface Area

64.090

Acid Dissociation Constant (pKa)

15.67

Base Dissociation Constant (pKb)

2.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

S019-0023 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

TLR-8 ligands Library (674 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Female
  • Skin
  • Immune system
Targets:
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S019-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S019-0023?
Check Price and Availability of S019-0023, 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 S019-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S019-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S019-0023
  • 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 S019-0023 available by request