8018-5103 Screening compound: 3-(5-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-yl)pyridine

8018-5103 Screening compound: 3-(5-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-yl)pyridine
8018-5103 Screening compound: 3-(5-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-yl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5103
3-(5-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-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

8018-5103

Molecular Formula

C13H9ClFN5S (C13 H9 ClFN5 S)

Compound Name

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

IUPAC name

3-(5-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-1H-1234-tetrazol-1-yl)pyridine

SMILES

Fc1cc(Cl)c(CSc2nnnn2-c2cnccc2)cc1

InChI

InChI=1S/C13H9ClFN5S/c14-12-6-10(15)4-3-9(12)8-21-13-17-18-19-20(13)11-2-1-5-16-7-11/h1-7H,8H2

InChI Key

FEWKDVRENUZFMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07800229

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.77

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.319

Distribution Coefficient, logD

3.262

Water Solubility, LogSw

-3.39

Polar Surface Area

49.407

Acid Dissociation Constant (pKa)

23.52

Base Dissociation Constant (pKb)

6.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

8018-5103 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 8018-5103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5103?
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What is the minimum amount of 8018-5103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5103
  • 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 8018-5103 available by request