7695-1287 Screening compound: 5-oxo-N-[2-(trifluoromethyl)phenyl]-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

7695-1287 Screening compound: 5-oxo-N-[2-(trifluoromethyl)phenyl]-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
7695-1287 Screening compound: 5-oxo-N-[2-(trifluoromethyl)phenyl]-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7695-1287
5-oxo-N-[2-(trifluoromethyl)phenyl]-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-7-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

7695-1287

Molecular Formula

C13H10F3N5O2 (C13 H10 F3 N5 O2)

Compound Name

5-oxo-N-[2-(trifluoromethyl)phenyl]-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

IUPAC name

5-oxo-N-[2-(trifluoromethyl)phenyl]-4H5H6H7H-[124]triazolo[15-a]pyrimidine-7-carboxamide

SMILES

O=C(C(C1)n2ncnc2NC1=O)Nc1c(C(F)(F)F)cccc1

InChI

InChI=1S/C13H10F3N5O2/c14-13(15,16)7-3-1-2-4-8(7)19-11(23)9-5-10(22)20-12-17-6-18-21(9)12/h1-4,6,9H,5H2,(H,19,23)(H,17,18,20,22)/t9-/m0/s1

InChI Key

CISKMHBDMJEJIZ-VIFPVBQESA-N

MDL Number (MFCD)

MFCD06193722

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.25

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.113

Distribution Coefficient, logD

1.113

Water Solubility, LogSw

-2.21

Polar Surface Area

74.916

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

0.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

7695-1287 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antifungal Library (16415 compounds)

Antiviral HBV Library (10007 compounds)

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

Soluble Diversity Library (15920 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7695-1287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7695-1287?
Check Price and Availability of 7695-1287, 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 7695-1287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7695-1287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7695-1287
  • 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 7695-1287 available by request