K832-4601 Screening compound: 7-(2-chloro-6-fluorophenyl)-5-(3,4-dimethylphenyl)-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine

K832-4601 Screening compound: 7-(2-chloro-6-fluorophenyl)-5-(3,4-dimethylphenyl)-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine
K832-4601 Screening compound: 7-(2-chloro-6-fluorophenyl)-5-(3,4-dimethylphenyl)-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound K832-4601
7-(2-chloro-6-fluorophenyl)-5-(3,4-dimethylphenyl)-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine

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

K832-4601

Molecular Formula

C19H18ClFN4 (C19 H18 ClFN4)

Compound Name

7-(2-chloro-6-fluorophenyl)-5-(3,4-dimethylphenyl)-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine

IUPAC name

(5S7R)-7-(2-chloro-6-fluorophenyl)-5-(34-dimethylphenyl)-4H5H6H7H-[124]triazolo[15-a]pyrimidine

SMILES

Cc1c(C)cc([C@@H](C2)Nc3ncnn3[C@@H]2c(c(F)ccc2)c2Cl)cc1

InChI

InChI=1S/C19H18ClFN4/c1-11-6-7-13(8-12(11)2)16-9-17(25-19(24-16)22-10-23-25)18-14(20)4-3-5-15(18)21/h3-8,10,16-17H,9H2,1-2H3,(H,22,23,24)/t16-,17-/m0/s1

InChI Key

LZNVQBRDZXFMNM-IRXDYDNUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.83

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.785

Distribution Coefficient, logD

4.785

Water Solubility, LogSw

-5.13

Polar Surface Area

39.069

Acid Dissociation Constant (pKa)

15.42

Base Dissociation Constant (pKb)

3.20

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.30

K832-4601 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

Antiviral HBV Library (10007 compounds)

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

KRAS-Targeted Library (16000 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K832-4601 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K832-4601?
Check Price and Availability of K832-4601, 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 K832-4601 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K832-4601
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K832-4601
  • 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 K832-4601 available by request