C850-0279 Screening compound: 8-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

C850-0279 Screening compound: 8-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
C850-0279 Screening compound: 8-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C850-0279
8-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-[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

C850-0279

Molecular Formula

C21H22ClN5O2 (C21 H22 ClN5 O2)

Compound Name

8-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

IUPAC name

8-chloro-N-[2-(34-diethoxyphenyl)ethyl]-[124]triazolo[43-a]quinoxalin-4-amine

SMILES

CCOc(ccc(CCNc1nc(ccc(Cl)c2)c2n2c1nnc2)c1)c1OCC

InChI

InChI=1S/C21H22ClN5O2/c1-3-28-18-8-5-14(11-19(18)29-4-2)9-10-23-20-21-26-24-13-27(21)17-12-15(22)6-7-16(17)25-20/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,23,25)

InChI Key

RWUUXEHJLVFTHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14800501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.377

Distribution Coefficient, logD

3.374

Water Solubility, LogSw

-3.77

Polar Surface Area

55.662

Acid Dissociation Constant (pKa)

20.81

Base Dissociation Constant (pKb)

5.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C850-0279 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system

References: we are preparing a list of scientific research reports with C850-0279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C850-0279?
Check Price and Availability of C850-0279, 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 C850-0279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C850-0279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C850-0279
  • 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 C850-0279 available by request