G857-2218 Screening compound: 3-methyl-N-[4-(trifluoromethoxy)phenyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine

G857-2218 Screening compound: 3-methyl-N-[4-(trifluoromethoxy)phenyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine
G857-2218 Screening compound: 3-methyl-N-[4-(trifluoromethoxy)phenyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound G857-2218
3-methyl-N-[4-(trifluoromethoxy)phenyl]-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

G857-2218

Molecular Formula

C12H9F3N6O (C12 H9 F3 N6 O)

Compound Name

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

IUPAC name

3-methyl-N-[4-(trifluoromethoxy)phenyl]-3H-[123]triazolo[45-d]pyrimidin-7-amine

SMILES

Cn1nnc2c1ncnc2Nc(cc1)ccc1OC(F)(F)F

InChI

InChI=1S/C12H9F3N6O/c1-21-11-9(19-20-21)10(16-6-17-11)18-7-2-4-8(5-3-7)22-12(13,14)15/h2-6H,1H3,(H,16,17,18)

InChI Key

MJXSYDOHSGWOQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07806554

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.24

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.571

Distribution Coefficient, logD

2.571

Water Solubility, LogSw

-2.95

Polar Surface Area

63.150

Acid Dissociation Constant (pKa)

16.64

Base Dissociation Constant (pKb)

3.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

G857-2218 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G857-2218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G857-2218?
Check Price and Availability of G857-2218, 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 G857-2218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G857-2218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G857-2218
  • 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 G857-2218 available by request