E205-0526 Screening compound: 5-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-5H-[1,2,4]triazino[5,6-b]indol-3-amine

E205-0526 Screening compound: 5-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
E205-0526 Screening compound: 5-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-5H-[1,2,4]triazino[5,6-b]indol-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E205-0526
5-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-5H-[1,2,4]triazino[5,6-b]indol-3-amine

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

E205-0526

Molecular Formula

C26H21FN6 (C26 H21 FN6)

Compound Name

5-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-5H-[1,2,4]triazino[5,6-b]indol-3-amine

IUPAC name

5-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-5H-[124]triazino[56-b]indol-3-amine

SMILES

Fc1ccc(Cn2c3nc(NCCc4c[nH]c5c4cccc5)nnc3c3c2cccc3)cc1

InChI

InChI=1S/C26H21FN6/c27-19-11-9-17(10-12-19)16-33-23-8-4-2-6-21(23)24-25(33)30-26(32-31-24)28-14-13-18-15-29-22-7-3-1-5-20(18)22/h1-12,15,29H,13-14,16H2,(H,28,30,32)

InChI Key

WSLWVXRWSKFOGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14845914

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.103

Distribution Coefficient, logD

5.103

Water Solubility, LogSw

-5.46

Polar Surface Area

55.337

Acid Dissociation Constant (pKa)

18.33

Base Dissociation Constant (pKb)

4.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

E205-0526 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E205-0526 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E205-0526?
Check Price and Availability of E205-0526, 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 E205-0526 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E205-0526
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E205-0526
  • 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 E205-0526 available by request