K280-0531 Screening compound: 2-phenyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-[1,2,4]triazolo[1,5-c]quinazoline

K280-0531 Screening compound: 2-phenyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-[1,2,4]triazolo[1,5-c]quinazoline
K280-0531 Screening compound: 2-phenyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-[1,2,4]triazolo[1,5-c]quinazoline alternative view

Chemical Structure Depiction of ChemDiv screening compound K280-0531
2-phenyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-[1,2,4]triazolo[1,5-c]quinazoline

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

K280-0531

Molecular Formula

C23H15F3N4S (C23 H15 F3 N4 S)

Compound Name

2-phenyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-[1,2,4]triazolo[1,5-c]quinazoline

IUPAC name

2-phenyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-[124]triazolo[15-c]quinazoline

SMILES

FC(c1cccc(CSc2nc(cccc3)c3c3nc(-c4ccccc4)nn23)c1)(F)F

InChI

InChI=1S/C23H15F3N4S/c24-23(25,26)17-10-6-7-15(13-17)14-31-22-27-19-12-5-4-11-18(19)21-28-20(29-30(21)22)16-8-2-1-3-9-16/h1-13H,14H2

InChI Key

ZIPFOOVIUKWPLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15087522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.390

Distribution Coefficient, logD

6.377

Water Solubility, LogSw

-6.75

Polar Surface Area

29.797

Acid Dissociation Constant (pKa)

23.33

Base Dissociation Constant (pKb)

5.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

K280-0531 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K280-0531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K280-0531?
Check Price and Availability of K280-0531, 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 K280-0531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K280-0531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K280-0531
  • 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 K280-0531 available by request