K280-0052 Screening compound: N-(4-ethoxyphenyl)-2-({2-[2-(1H-indol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetamide

K280-0052 Screening compound: N-(4-ethoxyphenyl)-2-({2-[2-(1H-indol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetamide
K280-0052 Screening compound: N-(4-ethoxyphenyl)-2-({2-[2-(1H-indol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K280-0052
N-(4-ethoxyphenyl)-2-({2-[2-(1H-indol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)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

K280-0052

Molecular Formula

C29H26N6O2S (C29 H26 N6 O2 S)

Compound Name

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

IUPAC name

N-(4-ethoxyphenyl)-2-({2-[2-(1H-indol-3-yl)ethyl]-[124]triazolo[15-c]quinazolin-5-yl}sulfanyl)acetamide

SMILES

CCOc(cc1)ccc1NC(CSc1nc(cccc2)c2c2nc(CCc3c[nH]c4c3cccc4)nn12)=O

InChI

InChI=1S/C29H26N6O2S/c1-2-37-21-14-12-20(13-15-21)31-27(36)18-38-29-32-25-10-6-4-8-23(25)28-33-26(34-35(28)29)16-11-19-17-30-24-9-5-3-7-22(19)24/h3-10,12-15,17,30H,2,11,16,18H2,1H3,(H,31,36)

InChI Key

JJPZHWMSQHIPRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15087271

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.818

Distribution Coefficient, logD

5.804

Water Solubility, LogSw

-5.71

Polar Surface Area

70.931

Acid Dissociation Constant (pKa)

12.50

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.20

K280-0052 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with K280-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K280-0052?
Check Price and Availability of K280-0052, 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 K280-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K280-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K280-0052
  • 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 K280-0052 available by request