G856-5849 Screening compound: ethyl 2-({3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}amino)acetate

G856-5849 Screening compound: ethyl 2-({3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}amino)acetate
G856-5849 Screening compound: ethyl 2-({3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}amino)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-5849
ethyl 2-({3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}amino)acetate

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

G856-5849

Molecular Formula

C9H12N6O2 (C9 H12 N6 O2)

Compound Name

ethyl 2-({3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}amino)acetate

IUPAC name

ethyl 2-({3-methyl-3H-[123]triazolo[45-d]pyrimidin-7-yl}amino)acetate

SMILES

CCOC(CNc1ncnc2c1nnn2C)=O

InChI

InChI=1S/C9H12N6O2/c1-3-17-6(16)4-10-8-7-9(12-5-11-8)15(2)14-13-7/h5H,3-4H2,1-2H3,(H,10,11,12)

InChI Key

YMJBZNOETXGKNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07654006

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

236.23

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.114

Distribution Coefficient, logD

-0.114

Water Solubility, LogSw

-1.25

Polar Surface Area

78.966

Acid Dissociation Constant (pKa)

14.20

Base Dissociation Constant (pKb)

3.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

G856-5849 in Drug Discovery

Included in Screening Libraries

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

Nucleoside Mimetics Library (2197 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
  • Immune system
Structure:
  • Mimetics
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G856-5849 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-5849?
Check Price and Availability of G856-5849, 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 G856-5849 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-5849
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-5849
  • 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 G856-5849 available by request