E205-0112 Screening compound: 1-(2,5-dimethylphenyl)-4-{5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}piperazine

E205-0112 Screening compound: 1-(2,5-dimethylphenyl)-4-{5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}piperazine
E205-0112 Screening compound: 1-(2,5-dimethylphenyl)-4-{5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E205-0112
1-(2,5-dimethylphenyl)-4-{5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}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

E205-0112

Molecular Formula

C23H26N6 (C23 H26 N6)

Compound Name

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

IUPAC name

1-(25-dimethylphenyl)-4-{5-ethyl-5H-[124]triazino[56-b]indol-3-yl}piperazine

SMILES

CCn(c1c2cccc1)c1c2nnc(N(CC2)CCN2c2c(C)ccc(C)c2)n1

InChI

InChI=1S/C23H26N6/c1-4-29-19-8-6-5-7-18(19)21-22(29)24-23(26-25-21)28-13-11-27(12-14-28)20-15-16(2)9-10-17(20)3/h5-10,15H,4,11-14H2,1-3H3

InChI Key

MIAPEPSLTVALBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14845896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.183

Distribution Coefficient, logD

5.183

Water Solubility, LogSw

-5.39

Polar Surface Area

39.591

Acid Dissociation Constant (pKa)

20.23

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

E205-0112 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

DGK Inhibitors Library (10558 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
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 E205-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E205-0112?
Check Price and Availability of E205-0112, 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 E205-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E205-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E205-0112
  • 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 E205-0112 available by request