F517-0458 Screening compound: N-[4-methoxy-3-(1H-1,2,3,4-tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide

F517-0458 Screening compound: N-[4-methoxy-3-(1H-1,2,3,4-tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide
F517-0458 Screening compound: N-[4-methoxy-3-(1H-1,2,3,4-tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F517-0458
N-[4-methoxy-3-(1H-1,2,3,4-tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide

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

F517-0458

Molecular Formula

C16H12F3N5O2 (C16 H12 F3 N5 O2)

Compound Name

N-[4-methoxy-3-(1H-1,2,3,4-tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide

IUPAC name

N-[4-methoxy-3-(1H-1234-tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide

SMILES

COc(ccc(NC(c1ccc(C(F)(F)F)cc1)=O)c1)c1-n1nnnc1

InChI

InChI=1S/C16H12F3N5O2/c1-26-14-7-6-12(8-13(14)24-9-20-22-23-24)21-15(25)10-2-4-11(5-3-10)16(17,18)19/h2-9H,1H3,(H,21,25)

InChI Key

QQQQXVPEICTSAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27171860

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.015

Distribution Coefficient, logD

3.015

Water Solubility, LogSw

-3.64

Polar Surface Area

70.424

Acid Dissociation Constant (pKa)

11.19

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

F517-0458 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F517-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F517-0458?
Check Price and Availability of F517-0458, 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 F517-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F517-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F517-0458
  • 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 F517-0458 available by request