G856-5880 Screening compound: N-[(2,6-difluorophenyl)methyl]-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine

G856-5880 Screening compound: N-[(2,6-difluorophenyl)methyl]-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine
G856-5880 Screening compound: N-[(2,6-difluorophenyl)methyl]-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-5880
N-[(2,6-difluorophenyl)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

G856-5880

Molecular Formula

C12H10F2N6 (C12 H10 F2 N6)

Compound Name

N-[(2,6-difluorophenyl)methyl]-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine

IUPAC name

N-[(26-difluorophenyl)methyl]-3-methyl-3H-[123]triazolo[45-d]pyrimidin-7-amine

SMILES

Cn1nnc2c1ncnc2NCc(c(F)ccc1)c1F

InChI

InChI=1S/C12H10F2N6/c1-20-12-10(18-19-20)11(16-6-17-12)15-5-7-8(13)3-2-4-9(7)14/h2-4,6H,5H2,1H3,(H,15,16,17)

InChI Key

KTFLRKOZAPDRCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07654040

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.25

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.430

Distribution Coefficient, logD

1.430

Water Solubility, LogSw

-1.18

Polar Surface Area

58.536

Acid Dissociation Constant (pKa)

15.30

Base Dissociation Constant (pKb)

3.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

G856-5880 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Fragments Library (11262 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with G856-5880 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-5880?
Check Price and Availability of G856-5880, 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 G856-5880 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-5880
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-5880
  • 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 G856-5880 available by request