8018-5171 Screening compound: N-(4-chlorobenzyl)-N-[2-(1H-1,2,3,4-tetraazol-5-yl)phenyl]amine

8018-5171 Screening compound: N-(4-chlorobenzyl)-N-[2-(1H-1,2,3,4-tetraazol-5-yl)phenyl]amine
8018-5171 Screening compound: N-(4-chlorobenzyl)-N-[2-(1H-1,2,3,4-tetraazol-5-yl)phenyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5171
N-(4-chlorobenzyl)-N-[2-(1H-1,2,3,4-tetraazol-5-yl)phenyl]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

8018-5171

Molecular Formula

C14H12ClN5 (C14 H12 ClN5)

Compound Name

N-(4-chlorobenzyl)-N-[2-(1H-1,2,3,4-tetraazol-5-yl)phenyl]amine

IUPAC name

N-[(4-chlorophenyl)methyl]-2-(1H-1234-tetrazol-5-yl)aniline

SMILES

Clc1ccc(CNc(cccc2)c2-c2nnn[nH]2)cc1

InChI

InChI=1S/C14H12ClN5/c15-11-7-5-10(6-8-11)9-16-13-4-2-1-3-12(13)14-17-19-20-18-14/h1-8,16H,9H2,(H,17,18,19,20)

InChI Key

XORGERLENLLJPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07800274

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.74

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.129

Distribution Coefficient, logD

0.370

Water Solubility, LogSw

-3.83

Polar Surface Area

59.888

Acid Dissociation Constant (pKa)

3.04

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.14

8018-5171 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 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 8018-5171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5171?
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What is the minimum amount of 8018-5171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5171
  • 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 8018-5171 available by request