J067-0336 Screening compound: 1-phenyl-2-[({3-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)oxy]phenyl}methyl)amino]ethan-1-ol

J067-0336 Screening compound: 1-phenyl-2-[({3-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)oxy]phenyl}methyl)amino]ethan-1-ol
J067-0336 Screening compound: 1-phenyl-2-[({3-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)oxy]phenyl}methyl)amino]ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound J067-0336
1-phenyl-2-[({3-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)oxy]phenyl}methyl)amino]ethan-1-ol

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

J067-0336

Molecular Formula

C22H21N5O2 (C22 H21 N5 O2)

Compound Name

1-phenyl-2-[({3-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)oxy]phenyl}methyl)amino]ethan-1-ol

IUPAC name

1-phenyl-2-[({3-[(1-phenyl-1H-1234-tetrazol-5-yl)oxy]phenyl}methyl)amino]ethan-1-ol

SMILES

OC(CNCc1cccc(Oc2nnnn2-c2ccccc2)c1)c1ccccc1

InChI

InChI=1S/C22H21N5O2/c28-21(18-9-3-1-4-10-18)16-23-15-17-8-7-13-20(14-17)29-22-24-25-26-27(22)19-11-5-2-6-12-19/h1-14,21,23,28H,15-16H2/t21-/m0/s1

InChI Key

YAZOFTNTURRQNE-NRFANRHFSA-N

MDL Number (MFCD)

MFCD09688323

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

387.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.098

Distribution Coefficient, logD

1.838

Water Solubility, LogSw

-3.27

Polar Surface Area

74.545

Acid Dissociation Constant (pKa)

14.39

Base Dissociation Constant (pKb)

8.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

J067-0336 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Glucocorticoid receptors Library (4806 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with J067-0336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J067-0336?
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What is the minimum amount of J067-0336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J067-0336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J067-0336
  • 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 J067-0336 available by request