4065-0392 Screening compound: 3-{[(2,4-dichlorophenyl)methyl]sulfanyl}-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine

4065-0392 Screening compound: 3-{[(2,4-dichlorophenyl)methyl]sulfanyl}-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine
4065-0392 Screening compound: 3-{[(2,4-dichlorophenyl)methyl]sulfanyl}-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4065-0392
3-{[(2,4-dichlorophenyl)methyl]sulfanyl}-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine

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

4065-0392

Molecular Formula

C14H12Cl2N4S (C14 H12 Cl2 N4 S)

Compound Name

3-{[(2,4-dichlorophenyl)methyl]sulfanyl}-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine

IUPAC name

3-{[(24-dichlorophenyl)methyl]sulfanyl}-57-dimethyl-[124]triazolo[43-a]pyrimidine

SMILES

Cc(n12)cc(C)nc2nnc1SCc(ccc(Cl)c1)c1Cl

InChI

InChI=1S/C14H12Cl2N4S/c1-8-5-9(2)20-13(17-8)18-19-14(20)21-7-10-3-4-11(15)6-12(10)16/h3-6H,7H2,1-2H3

InChI Key

JKCOJLVRIKNVLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01959580

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.25

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.880

Distribution Coefficient, logD

3.880

Water Solubility, LogSw

-4.08

Polar Surface Area

31.653

Acid Dissociation Constant (pKa)

22.28

Base Dissociation Constant (pKb)

2.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

4065-0392 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4065-0392 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4065-0392?
Check Price and Availability of 4065-0392, 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 4065-0392 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4065-0392
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4065-0392
  • 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 4065-0392 available by request