K280-0466 Screening compound: 2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(2,4-dimethylphenyl)acetamide

K280-0466 Screening compound: 2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(2,4-dimethylphenyl)acetamide
K280-0466 Screening compound: 2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(2,4-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K280-0466
2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(2,4-dimethylphenyl)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

K280-0466

Molecular Formula

C26H27N7OS (C26 H27 N7 OS)

Compound Name

2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(2,4-dimethylphenyl)acetamide

IUPAC name

2-({2-[2-(35-dimethyl-1H-pyrazol-1-yl)ethyl]-[124]triazolo[15-c]quinazolin-5-yl}sulfanyl)-N-(24-dimethylphenyl)acetamide

SMILES

Cc1cc(C)nn1CCc1nn2c(SCC(Nc3c(C)cc(C)cc3)=O)nc(cccc3)c3c2n1

InChI

InChI=1S/C26H27N7OS/c1-16-9-10-21(17(2)13-16)27-24(34)15-35-26-28-22-8-6-5-7-20(22)25-29-23(31-33(25)26)11-12-32-19(4)14-18(3)30-32/h5-10,13-14H,11-12,15H2,1-4H3,(H,27,34)

InChI Key

NOPNBPKLSYHEIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15087476

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.859

Distribution Coefficient, logD

3.757

Water Solubility, LogSw

-3.77

Polar Surface Area

67.224

Acid Dissociation Constant (pKa)

12.46

Base Dissociation Constant (pKb)

6.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

K280-0466 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K280-0466 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K280-0466?
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What is the minimum amount of K280-0466 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K280-0466
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K280-0466
  • 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 K280-0466 available by request