J067-0325 Screening compound: [(2H-1,3-benzodioxol-5-yl)methyl]({3-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)oxy]phenyl}methyl)amine

J067-0325 Screening compound: [(2H-1,3-benzodioxol-5-yl)methyl]({3-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)oxy]phenyl}methyl)amine
J067-0325 Screening compound: [(2H-1,3-benzodioxol-5-yl)methyl]({3-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)oxy]phenyl}methyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound J067-0325
[(2H-1,3-benzodioxol-5-yl)methyl]({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

J067-0325

Molecular Formula

C22H19N5O3 (C22 H19 N5 O3)

Compound Name

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

IUPAC name

[(2H-13-benzodioxol-5-yl)methyl]({3-[(1-phenyl-1H-1234-tetrazol-5-yl)oxy]phenyl}methyl)amine

SMILES

C(c(cc1)cc2c1OCO2)NCc1cc(Oc2nnnn2-c2ccccc2)ccc1

InChI

InChI=1S/C22H19N5O3/c1-2-6-18(7-3-1)27-22(24-25-26-27)30-19-8-4-5-16(11-19)13-23-14-17-9-10-20-21(12-17)29-15-28-20/h1-12,23H,13-15H2

InChI Key

NRBKKZALIPTOCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09688314

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

401.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.636

Distribution Coefficient, logD

0.581

Water Solubility, LogSw

-4.02

Polar Surface Area

75.508

Acid Dissociation Constant (pKa)

26.19

Base Dissociation Constant (pKb)

10.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

J067-0325 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with J067-0325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J067-0325?
Check Price and Availability of J067-0325, 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 J067-0325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J067-0325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J067-0325
  • 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 J067-0325 available by request