K280-0441 Screening compound: 2-({2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide

K280-0441 Screening compound: 2-({2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
K280-0441 Screening compound: 2-({2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K280-0441
2-({2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide

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

K280-0441

Molecular Formula

C24H16F3N5OS (C24 H16 F3 N5 OS)

Compound Name

2-({2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-({2-phenyl-[124]triazolo[15-c]quinazolin-5-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide

SMILES

O=C(CSc1nc(cccc2)c2c2nc(-c3ccccc3)nn12)Nc1c(C(F)(F)F)cccc1

InChI

InChI=1S/C24H16F3N5OS/c25-24(26,27)17-11-5-7-13-19(17)28-20(33)14-34-23-29-18-12-6-4-10-16(18)22-30-21(31-32(22)23)15-8-2-1-3-9-15/h1-13H,14H2,(H,28,33)

InChI Key

FPHCLSSITXFVTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15087455

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.547

Distribution Coefficient, logD

5.541

Water Solubility, LogSw

-6.05

Polar Surface Area

52.248

Acid Dissociation Constant (pKa)

12.59

Base Dissociation Constant (pKb)

5.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

K280-0441 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 K280-0441 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K280-0441?
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What is the minimum amount of K280-0441 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K280-0441
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K280-0441
  • 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 K280-0441 available by request