8407-0791 Screening compound: ethyl 2-[7-oxo-2-(trifluoromethyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate

8407-0791 Screening compound: ethyl 2-[7-oxo-2-(trifluoromethyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate
8407-0791 Screening compound: ethyl 2-[7-oxo-2-(trifluoromethyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8407-0791
ethyl 2-[7-oxo-2-(trifluoromethyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]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

8407-0791

Molecular Formula

C10H9F3N4O3 (C10 H9 F3 N4 O3)

Compound Name

ethyl 2-[7-oxo-2-(trifluoromethyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate

IUPAC name

ethyl 2-[7-oxo-2-(trifluoromethyl)-4H7H-[124]triazolo[15-a]pyrimidin-5-yl]acetate

SMILES

CCOC(CC(Nc1nc(C(F)(F)F)nn11)=CC1=O)=O

InChI

InChI=1S/C10H9F3N4O3/c1-2-20-7(19)4-5-3-6(18)17-9(14-5)15-8(16-17)10(11,12)13/h3H,2,4H2,1H3,(H,14,15,16)

InChI Key

AIXQPJVPDOOITH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07157455

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.2

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.972

Distribution Coefficient, logD

-4.147

Water Solubility, LogSw

-1.82

Polar Surface Area

71.771

Acid Dissociation Constant (pKa)

2.28

Base Dissociation Constant (pKb)

-4.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

8407-0791 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8407-0791 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8407-0791?
Check Price and Availability of 8407-0791, 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 8407-0791 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8407-0791
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8407-0791
  • 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 8407-0791 available by request