G856-5839 Screening compound: 1-{3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}-4-[3-(trifluoromethyl)phenyl]piperazine

G856-5839 Screening compound: 1-{3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}-4-[3-(trifluoromethyl)phenyl]piperazine
G856-5839 Screening compound: 1-{3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}-4-[3-(trifluoromethyl)phenyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-5839
1-{3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}-4-[3-(trifluoromethyl)phenyl]piperazine

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

G856-5839

Molecular Formula

C16H16F3N7 (C16 H16 F3 N7)

Compound Name

1-{3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}-4-[3-(trifluoromethyl)phenyl]piperazine

IUPAC name

1-{3-methyl-3H-[123]triazolo[45-d]pyrimidin-7-yl}-4-[3-(trifluoromethyl)phenyl]piperazine

SMILES

Cn1nnc2c1ncnc2N(CC1)CCN1c1cccc(C(F)(F)F)c1

InChI

InChI=1S/C16H16F3N7/c1-24-14-13(22-23-24)15(21-10-20-14)26-7-5-25(6-8-26)12-4-2-3-11(9-12)16(17,18)19/h2-4,9-10H,5-8H2,1H3

InChI Key

JLYLSYOOOLSMST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07653993

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.615

Distribution Coefficient, logD

2.615

Water Solubility, LogSw

-2.57

Polar Surface Area

54.307

Acid Dissociation Constant (pKa)

21.61

Base Dissociation Constant (pKb)

3.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

G856-5839 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with G856-5839 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-5839?
Check Price and Availability of G856-5839, 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 G856-5839 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-5839
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-5839
  • 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 G856-5839 available by request