8018-9482 Screening compound: [5-(2-fluorophenyl)-2H-1,2,3,4-tetraazol-2-yl]methyl cyanide

8018-9482 Screening compound: [5-(2-fluorophenyl)-2H-1,2,3,4-tetraazol-2-yl]methyl cyanide
8018-9482 Screening compound: [5-(2-fluorophenyl)-2H-1,2,3,4-tetraazol-2-yl]methyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9482
[5-(2-fluorophenyl)-2H-1,2,3,4-tetraazol-2-yl]methyl cyanide

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

8018-9482

Molecular Formula

C9H6FN5 (C9 H6 FN5)

Compound Name

[5-(2-fluorophenyl)-2H-1,2,3,4-tetraazol-2-yl]methyl cyanide

IUPAC name

2-[5-(2-fluorophenyl)-2H-1234-tetrazol-2-yl]acetonitrile

SMILES

N#CCn1nnc(-c(cccc2)c2F)n1

InChI

InChI=1S/C9H6FN5/c10-8-4-2-1-3-7(8)9-12-14-15(13-9)6-5-11/h1-4H,6H2

InChI Key

QCKHTRZDWVBHQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05246346

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

203.18

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.032

Distribution Coefficient, logD

1.032

Water Solubility, LogSw

-1.99

Polar Surface Area

56.083

Acid Dissociation Constant (pKa)

22.52

Base Dissociation Constant (pKb)

-5.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

8018-9482 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8018-9482 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-9482?
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What is the minimum amount of 8018-9482 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9482
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9482
  • 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 8018-9482 available by request