J067-0311 Screening compound: ({3-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)oxy]phenyl}methyl)[(pyridin-3-yl)methyl]amine

J067-0311 Screening compound: ({3-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)oxy]phenyl}methyl)[(pyridin-3-yl)methyl]amine
J067-0311 Screening compound: ({3-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)oxy]phenyl}methyl)[(pyridin-3-yl)methyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound J067-0311
({3-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)oxy]phenyl}methyl)[(pyridin-3-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

J067-0311

Molecular Formula

C20H18N6O (C20 H18 N6 O)

Compound Name

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

IUPAC name

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

SMILES

C(c1cccc(Oc2nnnn2-c2ccccc2)c1)NCc1cnccc1

InChI

InChI=1S/C20H18N6O/c1-2-8-18(9-3-1)26-20(23-24-25-26)27-19-10-4-6-16(12-19)13-22-15-17-7-5-11-21-14-17/h1-12,14,22H,13,15H2

InChI Key

DDFJOIKYXHEANB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09688304

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

358.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.496

Distribution Coefficient, logD

1.244

Water Solubility, LogSw

-2.44

Polar Surface Area

67.910

Acid Dissociation Constant (pKa)

24.31

Base Dissociation Constant (pKb)

8.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

J067-0311 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 J067-0311 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J067-0311?
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What is the minimum amount of J067-0311 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J067-0311
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J067-0311
  • 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 J067-0311 available by request