D537-0231 Screening compound: 2-ethoxy-3-[3-(thiomorpholine-4-carbonyl)piperidin-1-yl]quinoxaline

D537-0231 Screening compound: 2-ethoxy-3-[3-(thiomorpholine-4-carbonyl)piperidin-1-yl]quinoxaline
D537-0231 Screening compound: 2-ethoxy-3-[3-(thiomorpholine-4-carbonyl)piperidin-1-yl]quinoxaline alternative view

Chemical Structure Depiction of ChemDiv screening compound D537-0231
2-ethoxy-3-[3-(thiomorpholine-4-carbonyl)piperidin-1-yl]quinoxaline

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

D537-0231

Molecular Formula

C20H26N4O2S (C20 H26 N4 O2 S)

Compound Name

2-ethoxy-3-[3-(thiomorpholine-4-carbonyl)piperidin-1-yl]quinoxaline

IUPAC name

2-ethoxy-3-[3-(thiomorpholine-4-carbonyl)piperidin-1-yl]quinoxaline

SMILES

CCOc1nc2ccccc2nc1N(CCC1)CC1C(N1CCSCC1)=O

InChI

InChI=1S/C20H26N4O2S/c1-2-26-19-18(21-16-7-3-4-8-17(16)22-19)24-9-5-6-15(14-24)20(25)23-10-12-27-13-11-23/h3-4,7-8,15H,2,5-6,9-14H2,1H3/t15-/m0/s1

InChI Key

BMVNVQMKAIXELO-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14859639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.314

Distribution Coefficient, logD

3.314

Water Solubility, LogSw

-3.36

Polar Surface Area

45.020

Acid Dissociation Constant (pKa)

22.75

Base Dissociation Constant (pKb)

6.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

D537-0231 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Soluble Diversity Library (15920 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with D537-0231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D537-0231?
Check Price and Availability of D537-0231, 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 D537-0231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D537-0231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D537-0231
  • 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 D537-0231 available by request