K280-0393 Screening compound: 2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide

K280-0393 Screening compound: 2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
K280-0393 Screening compound: 2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K280-0393
2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]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

K280-0393

Molecular Formula

C28H22F3N7OS (C28 H22 F3 N7 OS)

Compound Name

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

IUPAC name

2-({2-[2-(2-methyl-1H-13-benzodiazol-1-yl)ethyl]-[124]triazolo[15-c]quinazolin-5-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide

SMILES

Cc1nc(cccc2)c2n1CCc1nn2c(SCC(Nc3cc(C(F)(F)F)ccc3)=O)nc(cccc3)c3c2n1

InChI

InChI=1S/C28H22F3N7OS/c1-17-32-22-11-4-5-12-23(22)37(17)14-13-24-35-26-20-9-2-3-10-21(20)34-27(38(26)36-24)40-16-25(39)33-19-8-6-7-18(15-19)28(29,30)31/h2-12,15H,13-14,16H2,1H3,(H,33,39)

InChI Key

FBOXLJMWYXIVBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15087414

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

561.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.869

Distribution Coefficient, logD

5.753

Water Solubility, LogSw

-5.85

Polar Surface Area

64.892

Acid Dissociation Constant (pKa)

10.42

Base Dissociation Constant (pKb)

6.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

K280-0393 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

PI3K-Targeted Library (17255 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K280-0393 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K280-0393?
Check Price and Availability of K280-0393, 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 K280-0393 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K280-0393
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K280-0393
  • 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 K280-0393 available by request