6085-0009 Screening compound: 5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-ol

6085-0009 Screening compound: 5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-ol
6085-0009 Screening compound: 5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6085-0009
5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-ol

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

6085-0009

Molecular Formula

C10H8N4O (C10 H8 N4 O)

Compound Name

5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-ol

IUPAC name

5-methyl-5H-[124]triazino[56-b]indol-3-ol

SMILES

Cn1c2nc(O)nnc2c2c1cccc2

InChI

InChI=1S/C10H8N4O/c1-14-7-5-3-2-4-6(7)8-9(14)11-10(15)13-12-8/h2-5H,1H3,(H,11,13,15)

InChI Key

MPMSIOGTIXPOPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00698318

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

200.2

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.764

Distribution Coefficient, logD

0.573

Water Solubility, LogSw

-0.96

Polar Surface Area

52.239

Acid Dissociation Constant (pKa)

7.66

Base Dissociation Constant (pKb)

2.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

6085-0009 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 6085-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6085-0009?
Check Price and Availability of 6085-0009, 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 6085-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6085-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6085-0009
  • 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 6085-0009 available by request