8018-8100 Screening compound: 3-{2-[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]-2H-1,2,3,4-tetrazol-5-yl}pyridine

8018-8100 Screening compound: 3-{2-[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]-2H-1,2,3,4-tetrazol-5-yl}pyridine
8018-8100 Screening compound: 3-{2-[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]-2H-1,2,3,4-tetrazol-5-yl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-8100
3-{2-[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]-2H-1,2,3,4-tetrazol-5-yl}pyridine

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

8018-8100

Molecular Formula

C14H10ClN5O2 (C14 H10 ClN5 O2)

Compound Name

3-{2-[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]-2H-1,2,3,4-tetrazol-5-yl}pyridine

IUPAC name

3-{2-[(6-chloro-2H-13-benzodioxol-5-yl)methyl]-2H-1234-tetrazol-5-yl}pyridine

SMILES

Clc1c(Cn2nnc(-c3cnccc3)n2)cc2OCOc2c1

InChI

InChI=1S/C14H10ClN5O2/c15-11-5-13-12(21-8-22-13)4-10(11)7-20-18-14(17-19-20)9-2-1-3-16-6-9/h1-6H,7-8H2

InChI Key

IXTRIIQYPNIRRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09062512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.72

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.381

Distribution Coefficient, logD

1.908

Water Solubility, LogSw

-3.06

Polar Surface Area

64.975

Acid Dissociation Constant (pKa)

26.93

Base Dissociation Constant (pKb)

7.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

8018-8100 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-8100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-8100?
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What is the minimum amount of 8018-8100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8100
  • 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 8018-8100 available by request