5481-0087 Screening compound: 2-methyl-5H-[1,2,4]triazolo[1',5':2,3][1,2,4]triazino[5,6-b]indole

5481-0087 Screening compound: 2-methyl-5H-[1,2,4]triazolo[1',5':2,3][1,2,4]triazino[5,6-b]indole
5481-0087 Screening compound: 2-methyl-5H-[1,2,4]triazolo[1',5':2,3][1,2,4]triazino[5,6-b]indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 5481-0087
2-methyl-5H-[1,2,4]triazolo[1',5':2,3][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

5481-0087

Molecular Formula

C11H8N6 (C11 H8 N6)

Compound Name

2-methyl-5H-[1,2,4]triazolo[1',5':2,3][1,2,4]triazino[5,6-b]indole

IUPAC name

13-methyl-81012141516-hexaazatetracyclo[7.7.0.0^{27}.0^{1115}]hexadeca-1(16)2(7)3591113-heptaene

SMILES

Cc1nn2nc(c(cccc3)c3[nH]3)c3nc2n1

InChI

InChI=1S/C11H8N6/c1-6-12-11-14-10-9(16-17(11)15-6)7-4-2-3-5-8(7)13-10/h2-5H,1H3,(H,12,13,14,15)

InChI Key

LJQYEVSJJSYDOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00469125

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

224.22

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.006

Distribution Coefficient, logD

1.006

Water Solubility, LogSw

-1.45

Polar Surface Area

52.050

Acid Dissociation Constant (pKa)

18.05

Base Dissociation Constant (pKb)

1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

5481-0087 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5481-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5481-0087?
Check Price and Availability of 5481-0087, 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 5481-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5481-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5481-0087
  • 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 5481-0087 available by request