8018-1012 Screening compound: 4-{2-[(2-chloro-4-fluorophenyl)methyl]-2H-1,2,3,4-tetrazol-5-yl}pyridine

8018-1012 Screening compound: 4-{2-[(2-chloro-4-fluorophenyl)methyl]-2H-1,2,3,4-tetrazol-5-yl}pyridine
8018-1012 Screening compound: 4-{2-[(2-chloro-4-fluorophenyl)methyl]-2H-1,2,3,4-tetrazol-5-yl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-1012
4-{2-[(2-chloro-4-fluorophenyl)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

8018-1012

Molecular Formula

C13H9ClFN5 (C13 H9 ClFN5)

Compound Name

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

IUPAC name

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

SMILES

Fc1cc(Cl)c(Cn2nnc(-c3ccncc3)n2)cc1

InChI

InChI=1S/C13H9ClFN5/c14-12-7-11(15)2-1-10(12)8-20-18-13(17-19-20)9-3-5-16-6-4-9/h1-7H,8H2

InChI Key

FKFZNSDKVCGQKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07022576

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.7

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

2.825

Distribution Coefficient, logD

2.825

Water Solubility, LogSw

-3.42

Polar Surface Area

47.770

Acid Dissociation Constant (pKa)

26.90

Base Dissociation Constant (pKb)

4.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

8018-1012 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8018-1012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-1012?
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What is the minimum amount of 8018-1012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-1012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-1012
  • 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 8018-1012 available by request