K780-1239 Screening compound: 1-[1-(3-chloro-4-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]ethan-1-one

K780-1239 Screening compound: 1-[1-(3-chloro-4-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]ethan-1-one
K780-1239 Screening compound: 1-[1-(3-chloro-4-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K780-1239
1-[1-(3-chloro-4-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]ethan-1-one

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

K780-1239

Molecular Formula

C11H9ClFN3O (C11 H9 ClFN3 O)

Compound Name

1-[1-(3-chloro-4-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]ethan-1-one

IUPAC name

1-[1-(3-chloro-4-fluorophenyl)-5-methyl-1H-123-triazol-4-yl]ethan-1-one

SMILES

CC(c1c(C)n(-c(cc2)cc(Cl)c2F)nn1)=O

InChI

InChI=1S/C11H9ClFN3O/c1-6-11(7(2)17)14-15-16(6)8-3-4-10(13)9(12)5-8/h3-5H,1-2H3

InChI Key

INVDXUGQXKHWLB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00112407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

253.66

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.017

Distribution Coefficient, logD

2.017

Water Solubility, LogSw

-2.76

Polar Surface Area

40.908

Acid Dissociation Constant (pKa)

18.22

Base Dissociation Constant (pKb)

-0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

K780-1239 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

GABA Library (7115 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Eye
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with K780-1239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K780-1239?
Check Price and Availability of K780-1239, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K780-1239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K780-1239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K780-1239
  • 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 K780-1239 available by request