J083-0168 Screening compound: N-({2-[(4-methylphenyl)methoxy]naphthalen-1-yl}methyl)-2-propyl-2H-1,2,3,4-tetrazol-5-amine

J083-0168 Screening compound: N-({2-[(4-methylphenyl)methoxy]naphthalen-1-yl}methyl)-2-propyl-2H-1,2,3,4-tetrazol-5-amine
J083-0168 Screening compound: N-({2-[(4-methylphenyl)methoxy]naphthalen-1-yl}methyl)-2-propyl-2H-1,2,3,4-tetrazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound J083-0168
N-({2-[(4-methylphenyl)methoxy]naphthalen-1-yl}methyl)-2-propyl-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

J083-0168

Molecular Formula

C23H25N5O (C23 H25 N5 O)

Compound Name

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

IUPAC name

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

SMILES

CCCn1nnc(NCc(c2ccccc2cc2)c2OCc2ccc(C)cc2)n1

InChI

InChI=1S/C23H25N5O/c1-3-14-28-26-23(25-27-28)24-15-21-20-7-5-4-6-19(20)12-13-22(21)29-16-18-10-8-17(2)9-11-18/h4-13H,3,14-16H2,1-2H3,(H,24,26)

InChI Key

ZWLDBEVDNQMWAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09694322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.228

Distribution Coefficient, logD

5.228

Water Solubility, LogSw

-6.10

Polar Surface Area

57.275

Acid Dissociation Constant (pKa)

13.79

Base Dissociation Constant (pKb)

1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

J083-0168 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Agro:
  • Agro
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with J083-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J083-0168?
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What is the minimum amount of J083-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J083-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J083-0168
  • 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 J083-0168 available by request