K786-0328 Screening compound: 2-({5,7-dimethyl-6-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-methyl-N-phenylacetamide

K786-0328 Screening compound: 2-({5,7-dimethyl-6-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-methyl-N-phenylacetamide
K786-0328 Screening compound: 2-({5,7-dimethyl-6-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-methyl-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-0328
2-({5,7-dimethyl-6-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-methyl-N-phenylacetamide

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

K786-0328

Molecular Formula

C24H25N5OS (C24 H25 N5 OS)

Compound Name

2-({5,7-dimethyl-6-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-methyl-N-phenylacetamide

IUPAC name

2-({57-dimethyl-6-[(2-methylphenyl)methyl]-[124]triazolo[15-a]pyrimidin-2-yl}sulfanyl)-N-methyl-N-phenylacetamide

SMILES

Cc1c(Cc(c(C)nc2n3)c(C)n2nc3SCC(N(C)c2ccccc2)=O)cccc1

InChI

InChI=1S/C24H25N5OS/c1-16-10-8-9-11-19(16)14-21-17(2)25-23-26-24(27-29(23)18(21)3)31-15-22(30)28(4)20-12-6-5-7-13-20/h5-13H,14-15H2,1-4H3

InChI Key

NVHDBPPYLZCBRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15099775

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.220

Distribution Coefficient, logD

4.220

Water Solubility, LogSw

-4.36

Polar Surface Area

44.668

Acid Dissociation Constant (pKa)

15.20

Base Dissociation Constant (pKb)

3.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

K786-0328 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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 K786-0328 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-0328?
Check Price and Availability of K786-0328, 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 K786-0328 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-0328
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-0328
  • 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 K786-0328 available by request