8018-5169 Screening compound: N-[(3,4-dimethoxyphenyl)methyl]-2-(1H-1,2,3,4-tetrazol-5-yl)aniline

8018-5169 Screening compound: N-[(3,4-dimethoxyphenyl)methyl]-2-(1H-1,2,3,4-tetrazol-5-yl)aniline
8018-5169 Screening compound: N-[(3,4-dimethoxyphenyl)methyl]-2-(1H-1,2,3,4-tetrazol-5-yl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5169
N-[(3,4-dimethoxyphenyl)methyl]-2-(1H-1,2,3,4-tetrazol-5-yl)aniline

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

8018-5169

Molecular Formula

C16H17N5O2 (C16 H17 N5 O2)

Compound Name

N-[(3,4-dimethoxyphenyl)methyl]-2-(1H-1,2,3,4-tetrazol-5-yl)aniline

IUPAC name

N-[(34-dimethoxyphenyl)methyl]-2-(1H-1234-tetrazol-5-yl)aniline

SMILES

COc(ccc(CNc(cccc1)c1-c1nnn[nH]1)c1)c1OC

InChI

InChI=1S/C16H17N5O2/c1-22-14-8-7-11(9-15(14)23-2)10-17-13-6-4-3-5-12(13)16-18-20-21-19-16/h3-9,17H,10H2,1-2H3,(H,18,19,20,21)

InChI Key

MFTLTYPZVGXMKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07800272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.149

Distribution Coefficient, logD

-0.610

Water Solubility, LogSw

-2.77

Polar Surface Area

75.149

Acid Dissociation Constant (pKa)

3.04

Base Dissociation Constant (pKb)

1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

8018-5169 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-5169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5169?
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What is the minimum amount of 8018-5169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5169
  • 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 8018-5169 available by request