J083-0050 Screening compound: 2-methyl-N-({2-[(4-methylphenyl)methoxy]naphthalen-1-yl}methyl)-2H-1,2,3,4-tetrazol-5-amine

J083-0050 Screening compound: 2-methyl-N-({2-[(4-methylphenyl)methoxy]naphthalen-1-yl}methyl)-2H-1,2,3,4-tetrazol-5-amine
J083-0050 Screening compound: 2-methyl-N-({2-[(4-methylphenyl)methoxy]naphthalen-1-yl}methyl)-2H-1,2,3,4-tetrazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound J083-0050
2-methyl-N-({2-[(4-methylphenyl)methoxy]naphthalen-1-yl}methyl)-2H-1,2,3,4-tetrazol-5-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

J083-0050

Molecular Formula

C21H21N5O (C21 H21 N5 O)

Compound Name

2-methyl-N-({2-[(4-methylphenyl)methoxy]naphthalen-1-yl}methyl)-2H-1,2,3,4-tetrazol-5-amine

IUPAC name

2-methyl-N-({2-[(4-methylphenyl)methoxy]naphthalen-1-yl}methyl)-2H-1234-tetrazol-5-amine

SMILES

Cc1ccc(COc2c(CNc3nn(C)nn3)c3ccccc3cc2)cc1

InChI

InChI=1S/C21H21N5O/c1-15-7-9-16(10-8-15)14-27-20-12-11-17-5-3-4-6-18(17)19(20)13-22-21-23-25-26(2)24-21/h3-12H,13-14H2,1-2H3,(H,22,24)

InChI Key

NFMWRKOERGZODI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09694318

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.153

Distribution Coefficient, logD

4.153

Water Solubility, LogSw

-4.61

Polar Surface Area

57.058

Acid Dissociation Constant (pKa)

13.77

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

J083-0050 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Antiparasite Library (23996 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
  • Agro
Targets:
  • Proteases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with J083-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J083-0050?
Check Price and Availability of J083-0050, 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 J083-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J083-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J083-0050
  • 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 J083-0050 available by request