1762-0039 Screening compound: N-[3-(4-fluorophenoxy)-5-nitrophenyl]-5-phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

1762-0039 Screening compound: N-[3-(4-fluorophenoxy)-5-nitrophenyl]-5-phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
1762-0039 Screening compound: N-[3-(4-fluorophenoxy)-5-nitrophenyl]-5-phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1762-0039
N-[3-(4-fluorophenoxy)-5-nitrophenyl]-5-phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

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

1762-0039

Molecular Formula

C25H14F4N6O4 (C25 H14 F4 N6 O4)

Compound Name

N-[3-(4-fluorophenoxy)-5-nitrophenyl]-5-phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

N-[3-(4-fluorophenoxy)-5-nitrophenyl]-5-phenyl-7-(trifluoromethyl)-[124]triazolo[15-a]pyrimidine-2-carboxamide

SMILES

[O-][N+](c1cc(NC(c2nn3c(C(F)(F)F)cc(-c4ccccc4)nc3n2)=O)cc(Oc(cc2)ccc2F)c1)=O

InChI

InChI=1S/C25H14F4N6O4/c26-15-6-8-18(9-7-15)39-19-11-16(10-17(12-19)35(37)38)30-23(36)22-32-24-31-20(14-4-2-1-3-5-14)13-21(25(27,28)29)34(24)33-22/h1-13H,(H,30,36)

InChI Key

ZMJJKBITYRGQEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00291571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

538.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

6.202

Distribution Coefficient, logD

6.197

Water Solubility, LogSw

-6.02

Polar Surface Area

93.001

Acid Dissociation Constant (pKa)

9.41

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

1762-0039 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antibacterial Compounds Library (13827 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 1762-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1762-0039?
Check Price and Availability of 1762-0039, 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 1762-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1762-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1762-0039
  • 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 1762-0039 available by request