K832-4591 Screening compound: 5-[4-chloro-2-(difluoromethoxy)phenyl]-7-(2-fluorophenyl)-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine

K832-4591 Screening compound: 5-[4-chloro-2-(difluoromethoxy)phenyl]-7-(2-fluorophenyl)-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine
K832-4591 Screening compound: 5-[4-chloro-2-(difluoromethoxy)phenyl]-7-(2-fluorophenyl)-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound K832-4591
5-[4-chloro-2-(difluoromethoxy)phenyl]-7-(2-fluorophenyl)-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

K832-4591

Molecular Formula

C18H14ClF3N4O (C18 H14 ClF3 N4 O)

Compound Name

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

IUPAC name

(5S7R)-5-[4-chloro-2-(difluoromethoxy)phenyl]-7-(2-fluorophenyl)-4H5H6H7H-[124]triazolo[15-a]pyrimidine

SMILES

FC(Oc1c([C@@H](C2)Nc3ncnn3[C@@H]2c(cccc2)c2F)ccc(Cl)c1)F

InChI

InChI=1S/C18H14ClF3N4O/c19-10-5-6-12(16(7-10)27-17(21)22)14-8-15(11-3-1-2-4-13(11)20)26-18(25-14)23-9-24-26/h1-7,9,14-15,17H,8H2,(H,23,24,25)/t14-,15-/m1/s1

InChI Key

XMGRZKWDJRSJQX-HUUCEWRRSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.78

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.626

Distribution Coefficient, logD

4.626

Water Solubility, LogSw

-4.87

Polar Surface Area

45.760

Acid Dissociation Constant (pKa)

14.95

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.20

K832-4591 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with K832-4591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K832-4591?
Check Price and Availability of K832-4591, 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 K832-4591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K832-4591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K832-4591
  • 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 K832-4591 available by request