8017-5000 Screening compound: 1-(3-chloro-4-methylphenyl)-5-(2-fluorobenzyl)-1H-1,2,3,4-tetraazole

8017-5000 Screening compound: 1-(3-chloro-4-methylphenyl)-5-(2-fluorobenzyl)-1H-1,2,3,4-tetraazole
8017-5000 Screening compound: 1-(3-chloro-4-methylphenyl)-5-(2-fluorobenzyl)-1H-1,2,3,4-tetraazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-5000
1-(3-chloro-4-methylphenyl)-5-(2-fluorobenzyl)-1H-1,2,3,4-tetraazole

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

8017-5000

Molecular Formula

C15H12ClFN4 (C15 H12 ClFN4)

Compound Name

1-(3-chloro-4-methylphenyl)-5-(2-fluorobenzyl)-1H-1,2,3,4-tetraazole

IUPAC name

1-(3-chloro-4-methylphenyl)-5-[(2-fluorophenyl)methyl]-1H-1234-tetrazole

SMILES

Cc(ccc(-n1nnnc1Cc(cccc1)c1F)c1)c1Cl

InChI

InChI=1S/C15H12ClFN4/c1-10-6-7-12(9-13(10)16)21-15(18-19-20-21)8-11-4-2-3-5-14(11)17/h2-7,9H,8H2,1H3

InChI Key

OEJLIZHPIQJUMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06017362

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.74

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.325

Distribution Coefficient, logD

4.325

Water Solubility, LogSw

-4.46

Polar Surface Area

40.283

Acid Dissociation Constant (pKa)

22.78

Base Dissociation Constant (pKb)

-1.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.33

8017-5000 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 8017-5000 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-5000?
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What is the minimum amount of 8017-5000 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-5000
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-5000
  • 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 8017-5000 available by request