K280-0564 Screening compound: N-cyclohexyl-2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)butanamide

K280-0564 Screening compound: N-cyclohexyl-2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)butanamide
K280-0564 Screening compound: N-cyclohexyl-2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K280-0564
N-cyclohexyl-2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)butanamide

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

K280-0564

Molecular Formula

C26H33N7OS (C26 H33 N7 OS)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(NC1CCCCC1)=O)Sc1nc(cccc2)c2c2nc(CCc3c(C)[nH]nc3C)nn12

InChI

InChI=1S/C26H33N7OS/c1-4-22(25(34)27-18-10-6-5-7-11-18)35-26-28-21-13-9-8-12-20(21)24-29-23(32-33(24)26)15-14-19-16(2)30-31-17(19)3/h8-9,12-13,18,22H,4-7,10-11,14-15H2,1-3H3,(H,27,34)(H,30,31)/t22-/m0/s1

InChI Key

UULLMOUDQYIZHV-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD15087552

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.66

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.322

Distribution Coefficient, logD

4.623

Water Solubility, LogSw

-5.36

Polar Surface Area

79.113

Acid Dissociation Constant (pKa)

14.20

Base Dissociation Constant (pKb)

8.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

K280-0564 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K280-0564 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K280-0564?
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What is the minimum amount of K280-0564 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K280-0564
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K280-0564
  • 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 K280-0564 available by request