S019-2236 Screening compound: 3'-(tert-butylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1'H-spiro[piperidine-3,2'-quinoxaline]-1-carboxamide

S019-2236 Screening compound: 3'-(tert-butylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1'H-spiro[piperidine-3,2'-quinoxaline]-1-carboxamide
S019-2236 Screening compound: 3'-(tert-butylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1'H-spiro[piperidine-3,2'-quinoxaline]-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S019-2236
3'-(tert-butylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1'H-spiro[piperidine-3,2'-quinoxaline]-1-carboxamide

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

S019-2236

Molecular Formula

C25H31N5O3 (C25 H31 N5 O3)

Compound Name

3'-(tert-butylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1'H-spiro[piperidine-3,2'-quinoxaline]-1-carboxamide

IUPAC name

3'-(tert-butylamino)-N-(23-dihydro-14-benzodioxin-6-yl)-1'H-spiro[piperidine-32'-quinoxaline]-1-carboxamide

SMILES

CC(C)(C)NC1=Nc(cccc2)c2NC1(CCC1)CN1C(Nc(cc1)cc2c1OCCO2)=O

InChI

InChI=1S/C25H31N5O3/c1-24(2,3)29-22-25(28-19-8-5-4-7-18(19)27-22)11-6-12-30(16-25)23(31)26-17-9-10-20-21(15-17)33-14-13-32-20/h4-5,7-10,15,28H,6,11-14,16H2,1-3H3,(H,26,31)(H,27,29)/t25-/m0/s1

InChI Key

HAESGJFCCPZSGE-VWLOTQADSA-N

MDL Number (MFCD)

MFCD29029751

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.816

Distribution Coefficient, logD

2.813

Water Solubility, LogSw

-3.36

Polar Surface Area

72.357

Acid Dissociation Constant (pKa)

12.63

Base Dissociation Constant (pKb)

7.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

S019-2236 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

TLR-8 ligands Library (674 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Female
  • Skin
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds
  • Cyclic compounds
Targets:
  • Others

References: we are preparing a list of scientific research reports with S019-2236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S019-2236?
Check Price and Availability of S019-2236, 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 S019-2236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S019-2236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S019-2236
  • 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 S019-2236 available by request