C850-0312 Screening compound: 1-{8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}-4-(2,5-dimethylphenyl)piperazine

C850-0312 Screening compound: 1-{8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}-4-(2,5-dimethylphenyl)piperazine
C850-0312 Screening compound: 1-{8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}-4-(2,5-dimethylphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C850-0312
1-{8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}-4-(2,5-dimethylphenyl)piperazine

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

C850-0312

Molecular Formula

C21H21ClN6 (C21 H21 ClN6)

Compound Name

1-{8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}-4-(2,5-dimethylphenyl)piperazine

IUPAC name

1-{8-chloro-[124]triazolo[43-a]quinoxalin-4-yl}-4-(25-dimethylphenyl)piperazine

SMILES

Cc1cc(N(CC2)CCN2c2nc(ccc(Cl)c3)c3n3c2nnc3)c(C)cc1

InChI

InChI=1S/C21H21ClN6/c1-14-3-4-15(2)18(11-14)26-7-9-27(10-8-26)20-21-25-23-13-28(21)19-12-16(22)5-6-17(19)24-20/h3-6,11-13H,7-10H2,1-2H3

InChI Key

JRSKXTVXKYKERG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14800511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.89

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.942

Distribution Coefficient, logD

4.937

Water Solubility, LogSw

-4.82

Polar Surface Area

36.871

Acid Dissociation Constant (pKa)

23.60

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C850-0312 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C850-0312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C850-0312?
Check Price and Availability of C850-0312, 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 C850-0312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C850-0312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C850-0312
  • 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 C850-0312 available by request