E869-0159 Screening compound: 1-ethyl-4-[4-(2-pyrimidinyl)piperazino][1,2,4]triazolo[4,3-a]quinoxaline

E869-0159 Screening compound: 1-ethyl-4-[4-(2-pyrimidinyl)piperazino][1,2,4]triazolo[4,3-a]quinoxaline
E869-0159 Screening compound: 1-ethyl-4-[4-(2-pyrimidinyl)piperazino][1,2,4]triazolo[4,3-a]quinoxaline alternative view

Chemical Structure Depiction of ChemDiv screening compound E869-0159
1-ethyl-4-[4-(2-pyrimidinyl)piperazino][1,2,4]triazolo[4,3-a]quinoxaline

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

E869-0159

Molecular Formula

C19H20N8 (C19 H20 N8)

Compound Name

1-ethyl-4-[4-(2-pyrimidinyl)piperazino][1,2,4]triazolo[4,3-a]quinoxaline

IUPAC name

2-(4-{1-ethyl-[124]triazolo[43-a]quinoxalin-4-yl}piperazin-1-yl)pyrimidine

SMILES

CCc1nnc2n1c(cccc1)c1nc2N(CC1)CCN1c1ncccn1

InChI

InChI=1S/C19H20N8/c1-2-16-23-24-18-17(22-14-6-3-4-7-15(14)27(16)18)25-10-12-26(13-11-25)19-20-8-5-9-21-19/h3-9H,2,10-13H2,1H3

InChI Key

JQTALFOYRNGDIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09696948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.988

Distribution Coefficient, logD

2.985

Water Solubility, LogSw

-2.76

Polar Surface Area

55.905

Acid Dissociation Constant (pKa)

20.92

Base Dissociation Constant (pKb)

5.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.58

E869-0159 in Drug Discovery

Included in Screening Libraries

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

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with E869-0159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E869-0159?
Check Price and Availability of E869-0159, 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 E869-0159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E869-0159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E869-0159
  • 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 E869-0159 available by request