F517-0022 Screening compound: 4-tert-butyl-N-[3-(1H-1,2,3,4-tetrazol-1-yl)phenyl]benzamide

F517-0022 Screening compound: 4-tert-butyl-N-[3-(1H-1,2,3,4-tetrazol-1-yl)phenyl]benzamide
F517-0022 Screening compound: 4-tert-butyl-N-[3-(1H-1,2,3,4-tetrazol-1-yl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F517-0022
4-tert-butyl-N-[3-(1H-1,2,3,4-tetrazol-1-yl)phenyl]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

F517-0022

Molecular Formula

C18H19N5O (C18 H19 N5 O)

Compound Name

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

IUPAC name

4-tert-butyl-N-[3-(1H-1234-tetrazol-1-yl)phenyl]benzamide

SMILES

CC(C)(C)c(cc1)ccc1C(Nc1cc(-n2nnnc2)ccc1)=O

InChI

InChI=1S/C18H19N5O/c1-18(2,3)14-9-7-13(8-10-14)17(24)20-15-5-4-6-16(11-15)23-12-19-21-22-23/h4-12H,1-3H3,(H,20,24)

InChI Key

FFXOETPOXOYRHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03641172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.177

Distribution Coefficient, logD

4.177

Water Solubility, LogSw

-4.31

Polar Surface Area

63.095

Acid Dissociation Constant (pKa)

11.52

Base Dissociation Constant (pKb)

-1.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

F517-0022 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Receptors Annotated Library (5376 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 F517-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F517-0022?
Check Price and Availability of F517-0022, 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 F517-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F517-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F517-0022
  • 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 F517-0022 available by request