K280-0559 Screening compound: 2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(3-methyl-1H-pyrazol-5-yl)acetamide

K280-0559 Screening compound: 2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(3-methyl-1H-pyrazol-5-yl)acetamide
K280-0559 Screening compound: 2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(3-methyl-1H-pyrazol-5-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K280-0559
2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(3-methyl-1H-pyrazol-5-yl)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

K280-0559

Molecular Formula

C22H23N9OS (C22 H23 N9 OS)

Compound Name

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

IUPAC name

2-({2-[2-(35-dimethyl-1H-pyrazol-4-yl)ethyl]-[124]triazolo[15-c]quinazolin-5-yl}sulfanyl)-N-(3-methyl-1H-pyrazol-5-yl)acetamide

SMILES

Cc1n[nH]c(NC(CSc2nc(cccc3)c3c3nc(CCc4c(C)[nH]nc4C)nn23)=O)c1

InChI

InChI=1S/C22H23N9OS/c1-12-10-19(29-26-12)24-20(32)11-33-22-23-17-7-5-4-6-16(17)21-25-18(30-31(21)22)9-8-15-13(2)27-28-14(15)3/h4-7,10H,8-9,11H2,1-3H3,(H,27,28)(H2,24,26,29,32)

InChI Key

RRHYKTFVMRAHQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15087547

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.728

Distribution Coefficient, logD

2.155

Water Solubility, LogSw

-3.21

Polar Surface Area

100.987

Acid Dissociation Constant (pKa)

10.33

Base Dissociation Constant (pKb)

7.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

K280-0559 in Drug Discovery

Included in Screening Libraries

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K280-0559 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K280-0559?
Check Price and Availability of K280-0559, 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 K280-0559 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K280-0559
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K280-0559
  • 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 K280-0559 available by request