C850-0327 Screening compound: 8-chloro-N-cyclooctyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

C850-0327 Screening compound: 8-chloro-N-cyclooctyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
C850-0327 Screening compound: 8-chloro-N-cyclooctyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C850-0327
8-chloro-N-cyclooctyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-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

C850-0327

Molecular Formula

C17H20ClN5 (C17 H20 ClN5)

Compound Name

8-chloro-N-cyclooctyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

IUPAC name

8-chloro-N-cyclooctyl-[124]triazolo[43-a]quinoxalin-4-amine

SMILES

Clc(cc1)cc(n2c3nnc2)c1nc3NC1CCCCCCC1

InChI

InChI=1S/C17H20ClN5/c18-12-8-9-14-15(10-12)23-11-19-22-17(23)16(21-14)20-13-6-4-2-1-3-5-7-13/h8-11,13H,1-7H2,(H,20,21)

InChI Key

CCAQQXUNPJMCPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14800515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.83

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.507

Distribution Coefficient, logD

4.505

Water Solubility, LogSw

-4.55

Polar Surface Area

41.457

Acid Dissociation Constant (pKa)

20.71

Base Dissociation Constant (pKb)

4.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

C850-0327 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C850-0327 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C850-0327?
Check Price and Availability of C850-0327, 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 C850-0327 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C850-0327
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C850-0327
  • 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 C850-0327 available by request