8314-0030 Screening compound: 2-(4-{1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}piperazin-1-yl)ethan-1-ol

8314-0030 Screening compound: 2-(4-{1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}piperazin-1-yl)ethan-1-ol
8314-0030 Screening compound: 2-(4-{1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}piperazin-1-yl)ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8314-0030
2-(4-{1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}piperazin-1-yl)ethan-1-ol

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

8314-0030

Molecular Formula

C16H20N6O (C16 H20 N6 O)

Compound Name

2-(4-{1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}piperazin-1-yl)ethan-1-ol

IUPAC name

2-(4-{1-methyl-[124]triazolo[43-a]quinoxalin-4-yl}piperazin-1-yl)ethan-1-ol

SMILES

Cc1nnc2n1c(cccc1)c1nc2N1CCN(CCO)CC1

InChI

InChI=1S/C16H20N6O/c1-12-18-19-16-15(21-8-6-20(7-9-21)10-11-23)17-13-4-2-3-5-14(13)22(12)16/h2-5,23H,6-11H2,1H3

InChI Key

RTNNSJVHYJTFKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06753292

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.917

Distribution Coefficient, logD

0.779

Water Solubility, LogSw

-0.65

Polar Surface Area

54.529

Acid Dissociation Constant (pKa)

14.97

Base Dissociation Constant (pKb)

6.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

8314-0030 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 compounds)

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

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8314-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8314-0030?
Check Price and Availability of 8314-0030, 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 8314-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8314-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8314-0030
  • 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 8314-0030 available by request