E205-0049 Screening compound: 3-[4-(2,3-dimethylphenyl)piperazino]-5-methyl-5H-[1,2,4]triazino[5,6-b]indole

E205-0049 Screening compound: 3-[4-(2,3-dimethylphenyl)piperazino]-5-methyl-5H-[1,2,4]triazino[5,6-b]indole
E205-0049 Screening compound: 3-[4-(2,3-dimethylphenyl)piperazino]-5-methyl-5H-[1,2,4]triazino[5,6-b]indole alternative view

Chemical Structure Depiction of ChemDiv screening compound E205-0049
3-[4-(2,3-dimethylphenyl)piperazino]-5-methyl-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

E205-0049

Molecular Formula

C22H24N6 (C22 H24 N6)

Compound Name

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

IUPAC name

n/a

SMILES

Cc1cccc(N(CC2)CCN2c2nc(n(C)c3c4cccc3)c4nn2)c1C

InChI

InChI=1S/C22H24N6/c1-15-7-6-10-18(16(15)2)27-11-13-28(14-12-27)22-23-21-20(24-25-22)17-8-4-5-9-19(17)26(21)3/h4-10H,11-14H2,1-3H3

InChI Key

WTAQULRJSNYKEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14845868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.438

Distribution Coefficient, logD

4.438

Water Solubility, LogSw

-4.40

Polar Surface Area

40.677

Acid Dissociation Constant (pKa)

20.23

Base Dissociation Constant (pKb)

4.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

E205-0049 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E205-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E205-0049?
Check Price and Availability of E205-0049, 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 E205-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E205-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E205-0049
  • 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 E205-0049 available by request