E869-0240 Screening compound: 1-{1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}-1,2,3,4-tetrahydroquinoline

E869-0240 Screening compound: 1-{1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}-1,2,3,4-tetrahydroquinoline
E869-0240 Screening compound: 1-{1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}-1,2,3,4-tetrahydroquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound E869-0240
1-{1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}-1,2,3,4-tetrahydroquinoline

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

E869-0240

Molecular Formula

C20H19N5 (C20 H19 N5)

Compound Name

1-{1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}-1,2,3,4-tetrahydroquinoline

IUPAC name

1-{1-ethyl-[124]triazolo[43-a]quinoxalin-4-yl}-1234-tetrahydroquinoline

SMILES

CCc1nnc2n1c(cccc1)c1nc2N(CCC1)c2c1cccc2

InChI

InChI=1S/C20H19N5/c1-2-18-22-23-20-19(21-15-10-4-6-12-17(15)25(18)20)24-13-7-9-14-8-3-5-11-16(14)24/h3-6,8,10-12H,2,7,9,13H2,1H3

InChI Key

IVUYJVLBBNUBBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14925012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.170

Distribution Coefficient, logD

4.165

Water Solubility, LogSw

-4.15

Polar Surface Area

32.946

Acid Dissociation Constant (pKa)

21.22

Base Dissociation Constant (pKb)

7.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

E869-0240 in Drug Discovery

Included in Screening Libraries

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

Immunological Library (6760 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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 E869-0240 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E869-0240?
Check Price and Availability of E869-0240, 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 E869-0240 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E869-0240
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E869-0240
  • 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 E869-0240 available by request