S019-0022 Screening compound: 1-ISONICOTINOYL-{N}-(2-METHOXYETHYL)-1'{H}-SPIRO[PIPERIDINE-3,2'-QUINOXALIN]-3'-AMINE

S019-0022 Screening compound: 1-ISONICOTINOYL-{N}-(2-METHOXYETHYL)-1'{H}-SPIRO[PIPERIDINE-3,2'-QUINOXALIN]-3'-AMINE
S019-0022 Screening compound: 1-ISONICOTINOYL-{N}-(2-METHOXYETHYL)-1'{H}-SPIRO[PIPERIDINE-3,2'-QUINOXALIN]-3'-AMINE alternative view

Chemical Structure Depiction of ChemDiv screening compound S019-0022
1-ISONICOTINOYL-{N}-(2-METHOXYETHYL)-1'{H}-SPIRO[PIPERIDINE-3,2'-QUINOXALIN]-3'-AMINE

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

S019-0022

Molecular Formula

C21H25N5O2 (C21 H25 N5 O2)

Compound Name

1-ISONICOTINOYL-{N}-(2-METHOXYETHYL)-1'{H}-SPIRO[PIPERIDINE-3,2'-QUINOXALIN]-3'-AMINE

IUPAC name

n/a

SMILES

COCCNC1=Nc(cccc2)c2NC1(CCC1)CN1C(c1ccncc1)=O

InChI

InChI=1S/C21H25N5O2/c1-28-14-12-23-20-21(25-18-6-3-2-5-17(18)24-20)9-4-13-26(15-21)19(27)16-7-10-22-11-8-16/h2-3,5-8,10-11,25H,4,9,12-15H2,1H3,(H,23,24)/t21-/m0/s1

InChI Key

VUANKCWHXKXDTA-NRFANRHFSA-N

MDL Number (MFCD)

MFCD29029762

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.955

Distribution Coefficient, logD

0.952

Water Solubility, LogSw

-1.57

Polar Surface Area

66.502

Acid Dissociation Constant (pKa)

15.67

Base Dissociation Constant (pKb)

5.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

S019-0022 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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:
  • 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 S019-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S019-0022?
Check Price and Availability of S019-0022, 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 S019-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S019-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S019-0022
  • 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 S019-0022 available by request