J067-0066 Screening compound: ({3-methoxy-4-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)oxy]phenyl}methyl)[(pyridin-4-yl)methyl]amine

J067-0066 Screening compound: ({3-methoxy-4-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)oxy]phenyl}methyl)[(pyridin-4-yl)methyl]amine
J067-0066 Screening compound: ({3-methoxy-4-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)oxy]phenyl}methyl)[(pyridin-4-yl)methyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound J067-0066
({3-methoxy-4-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)oxy]phenyl}methyl)[(pyridin-4-yl)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

J067-0066

Molecular Formula

C21H20N6O2 (C21 H20 N6 O2)

Compound Name

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

IUPAC name

({3-methoxy-4-[(1-phenyl-1H-1234-tetrazol-5-yl)oxy]phenyl}methyl)[(pyridin-4-yl)methyl]amine

SMILES

COc(cc(CNCc1ccncc1)cc1)c1Oc1nnnn1-c1ccccc1

InChI

InChI=1S/C21H20N6O2/c1-28-20-13-17(15-23-14-16-9-11-22-12-10-16)7-8-19(20)29-21-24-25-26-27(21)18-5-3-2-4-6-18/h2-13,23H,14-15H2,1H3

InChI Key

QGHUPJWLQZTMFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09688291

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

388.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.201

Distribution Coefficient, logD

0.708

Water Solubility, LogSw

-2.36

Polar Surface Area

75.538

Acid Dissociation Constant (pKa)

25.06

Base Dissociation Constant (pKb)

8.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

J067-0066 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with J067-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J067-0066?
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What is the minimum amount of J067-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J067-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J067-0066
  • 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 J067-0066 available by request