J067-0331 Screening compound: [2-(2-fluorophenyl)ethyl]({3-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)oxy]phenyl}methyl)amine

J067-0331 Screening compound: [2-(2-fluorophenyl)ethyl]({3-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)oxy]phenyl}methyl)amine
J067-0331 Screening compound: [2-(2-fluorophenyl)ethyl]({3-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)oxy]phenyl}methyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound J067-0331
[2-(2-fluorophenyl)ethyl]({3-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)oxy]phenyl}methyl)amine

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

J067-0331

Molecular Formula

C22H20FN5O (C22 H20 FN5 O)

Compound Name

[2-(2-fluorophenyl)ethyl]({3-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)oxy]phenyl}methyl)amine

IUPAC name

[2-(2-fluorophenyl)ethyl]({3-[(1-phenyl-1H-1234-tetrazol-5-yl)oxy]phenyl}methyl)amine

SMILES

Fc1c(CCNCc2cc(Oc3nnnn3-c3ccccc3)ccc2)cccc1

InChI

InChI=1S/C22H20FN5O/c23-21-12-5-4-8-18(21)13-14-24-16-17-7-6-11-20(15-17)29-22-25-26-27-28(22)19-9-2-1-3-10-19/h1-12,15,24H,13-14,16H2

InChI Key

TZAGJDWMLIQVGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09688318

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

389.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.980

Distribution Coefficient, logD

2.067

Water Solubility, LogSw

-4.38

Polar Surface Area

58.234

Acid Dissociation Constant (pKa)

26.15

Base Dissociation Constant (pKb)

9.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

J067-0331 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with J067-0331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J067-0331?
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What is the minimum amount of J067-0331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J067-0331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J067-0331
  • 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 J067-0331 available by request