E205-0094 Screening compound: 1-{5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}-4-(4-methoxyphenyl)piperazine

E205-0094 Screening compound: 1-{5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}-4-(4-methoxyphenyl)piperazine
E205-0094 Screening compound: 1-{5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}-4-(4-methoxyphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E205-0094
1-{5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}-4-(4-methoxyphenyl)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

E205-0094

Molecular Formula

C22H24N6O (C22 H24 N6 O)

Compound Name

1-{5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}-4-(4-methoxyphenyl)piperazine

IUPAC name

1-{5-ethyl-5H-[124]triazino[56-b]indol-3-yl}-4-(4-methoxyphenyl)piperazine

SMILES

CCn1c2nc(N(CC3)CCN3c(cc3)ccc3OC)nnc2c2c1cccc2

InChI

InChI=1S/C22H24N6O/c1-3-28-19-7-5-4-6-18(19)20-21(28)23-22(25-24-20)27-14-12-26(13-15-27)16-8-10-17(29-2)11-9-16/h4-11H,3,12-15H2,1-2H3

InChI Key

VYGVFKKJUWKANS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14845886

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.129

Distribution Coefficient, logD

4.129

Water Solubility, LogSw

-4.12

Polar Surface Area

47.436

Acid Dissociation Constant (pKa)

20.23

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

E205-0094 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

DGK Inhibitors Library (10558 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E205-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E205-0094?
Check Price and Availability of E205-0094, 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 E205-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E205-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E205-0094
  • 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 E205-0094 available by request