E205-0113 Screening compound: 5-ethyl-3-[4-(2-fluorophenyl)piperazino]-5H-[1,2,4]triazino[5,6-b]indole

E205-0113 Screening compound: 5-ethyl-3-[4-(2-fluorophenyl)piperazino]-5H-[1,2,4]triazino[5,6-b]indole
E205-0113 Screening compound: 5-ethyl-3-[4-(2-fluorophenyl)piperazino]-5H-[1,2,4]triazino[5,6-b]indole alternative view

Chemical Structure Depiction of ChemDiv screening compound E205-0113
5-ethyl-3-[4-(2-fluorophenyl)piperazino]-5H-[1,2,4]triazino[5,6-b]indole

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

E205-0113

Molecular Formula

C21H21FN6 (C21 H21 FN6)

Compound Name

5-ethyl-3-[4-(2-fluorophenyl)piperazino]-5H-[1,2,4]triazino[5,6-b]indole

IUPAC name

1-{5-ethyl-5H-[124]triazino[56-b]indol-3-yl}-4-(2-fluorophenyl)piperazine

SMILES

CCn1c2nc(N(CC3)CCN3c(cccc3)c3F)nnc2c2c1cccc2

InChI

InChI=1S/C21H21FN6/c1-2-28-17-9-5-3-7-15(17)19-20(28)23-21(25-24-19)27-13-11-26(12-14-27)18-10-6-4-8-16(18)22/h3-10H,2,11-14H2,1H3

InChI Key

KFEYBLQEWDTHEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14845897

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.44

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

4.204

Distribution Coefficient, logD

4.203

Water Solubility, LogSw

-4.13

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

28.57

E205-0113 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

DGK Inhibitors Library (10558 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 E205-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E205-0113?
Check Price and Availability of E205-0113, 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 E205-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E205-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E205-0113
  • 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 E205-0113 available by request