8010-8897 Screening compound: 2-[(2-chloro-4-fluorophenyl)methyl]-5-(2-methylphenyl)-2H-1,2,3,4-tetrazole

8010-8897 Screening compound: 2-[(2-chloro-4-fluorophenyl)methyl]-5-(2-methylphenyl)-2H-1,2,3,4-tetrazole
8010-8897 Screening compound: 2-[(2-chloro-4-fluorophenyl)methyl]-5-(2-methylphenyl)-2H-1,2,3,4-tetrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-8897
2-[(2-chloro-4-fluorophenyl)methyl]-5-(2-methylphenyl)-2H-1,2,3,4-tetrazole

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

8010-8897

Molecular Formula

C15H12ClFN4 (C15 H12 ClFN4)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1-c1nn(Cc(ccc(F)c2)c2Cl)nn1

InChI

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

InChI Key

AASYFAORRVLNCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02168795

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

4.177

Distribution Coefficient, logD

4.177

Water Solubility, LogSw

-4.42

Polar Surface Area

38.342

Acid Dissociation Constant (pKa)

26.90

Base Dissociation Constant (pKb)

-4.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

8010-8897 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8010-8897 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-8897?
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What is the minimum amount of 8010-8897 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-8897
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-8897
  • 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 8010-8897 available by request