K280-0042 Screening compound: 7-chloro-2-[({2-[2-(1H-indol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one

K280-0042 Screening compound: 7-chloro-2-[({2-[2-(1H-indol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
K280-0042 Screening compound: 7-chloro-2-[({2-[2-(1H-indol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K280-0042
7-chloro-2-[({2-[2-(1H-indol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one

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

K280-0042

Molecular Formula

C28H20ClN7OS (C28 H20 ClN7 OS)

Compound Name

7-chloro-2-[({2-[2-(1H-indol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one

IUPAC name

7-chloro-2-[({2-[2-(1H-indol-3-yl)ethyl]-[124]triazolo[15-c]quinazolin-5-yl}sulfanyl)methyl]-4H-pyrido[12-a]pyrimidin-4-one

SMILES

O=C1N(C=C(C=C2)Cl)C2=NC(CSc2nc(cccc3)c3c3nc(CCc4c[nH]c5c4cccc5)nn23)=C1

InChI

InChI=1S/C28H20ClN7OS/c29-18-10-12-25-31-19(13-26(37)35(25)15-18)16-38-28-32-23-8-4-2-6-21(23)27-33-24(34-36(27)28)11-9-17-14-30-22-7-3-1-5-20(17)22/h1-8,10,12-15,30H,9,11,16H2

InChI Key

DJZDMXWBKSZZNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05025893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

538.03

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.741

Distribution Coefficient, logD

4.726

Water Solubility, LogSw

-4.91

Polar Surface Area

67.164

Acid Dissociation Constant (pKa)

17.92

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.70

K280-0042 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • 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 K280-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K280-0042?
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What is the minimum amount of K280-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K280-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K280-0042
  • 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 K280-0042 available by request