G856-5865 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine

G856-5865 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine
G856-5865 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-5865
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-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

G856-5865

Molecular Formula

C13H12N6O2 (C13 H12 N6 O2)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-3-methyl-3H-[123]triazolo[45-d]pyrimidin-7-amine

SMILES

Cn1nnc2c1ncnc2NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C13H12N6O2/c1-19-13-11(17-18-19)12(15-6-16-13)14-5-8-2-3-9-10(4-8)21-7-20-9/h2-4,6H,5,7H2,1H3,(H,14,15,16)

InChI Key

HRYFEAOOPNESID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07654023

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.977

Distribution Coefficient, logD

0.977

Water Solubility, LogSw

-1.85

Polar Surface Area

75.651

Acid Dissociation Constant (pKa)

16.80

Base Dissociation Constant (pKb)

3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

G856-5865 in Drug Discovery

Included in Screening Libraries

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

Fragments Library (11262 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with G856-5865 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-5865?
Check Price and Availability of G856-5865, 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 G856-5865 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-5865
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-5865
  • 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 G856-5865 available by request