K280-0538 Screening compound: 4-[({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)methyl]benzonitrile

K280-0538 Screening compound: 4-[({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)methyl]benzonitrile
K280-0538 Screening compound: 4-[({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)methyl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound K280-0538
4-[({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)methyl]benzonitrile

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

K280-0538

Molecular Formula

C24H21N7S (C24 H21 N7 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(C)nn1CCc1nn2c(SCc(cc3)ccc3C#N)nc(cccc3)c3c2n1

InChI

InChI=1S/C24H21N7S/c1-16-13-17(2)30(28-16)12-11-22-27-23-20-5-3-4-6-21(20)26-24(31(23)29-22)32-15-19-9-7-18(14-25)8-10-19/h3-10,13H,11-12,15H2,1-2H3

InChI Key

LMAZKIJQYNMTJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15087529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.355

Distribution Coefficient, logD

3.141

Water Solubility, LogSw

-3.30

Polar Surface Area

61.829

Acid Dissociation Constant (pKa)

23.33

Base Dissociation Constant (pKb)

7.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

K280-0538 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human GPCR Annotated Library (5539 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

References: we are preparing a list of scientific research reports with K280-0538 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K280-0538?
Check Price and Availability of K280-0538, 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 K280-0538 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K280-0538
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K280-0538
  • 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 K280-0538 available by request