4065-0440 Screening compound: 2-{[(2,4-dichlorophenyl)methyl]sulfanyl}-6-methylpyrimidin-4-ol

4065-0440 Screening compound: 2-{[(2,4-dichlorophenyl)methyl]sulfanyl}-6-methylpyrimidin-4-ol
4065-0440 Screening compound: 2-{[(2,4-dichlorophenyl)methyl]sulfanyl}-6-methylpyrimidin-4-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4065-0440
2-{[(2,4-dichlorophenyl)methyl]sulfanyl}-6-methylpyrimidin-4-ol

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

4065-0440

Molecular Formula

C12H10Cl2N2OS (C12 H10 Cl2 N2 OS)

Compound Name

2-{[(2,4-dichlorophenyl)methyl]sulfanyl}-6-methylpyrimidin-4-ol

IUPAC name

2-{[(24-dichlorophenyl)methyl]sulfanyl}-6-methylpyrimidin-4-ol

SMILES

Cc1nc(SCc(ccc(Cl)c2)c2Cl)nc(O)c1

InChI

InChI=1S/C12H10Cl2N2OS/c1-7-4-11(17)16-12(15-7)18-6-8-2-3-9(13)5-10(8)14/h2-5H,6H2,1H3,(H,15,16,17)

InChI Key

KRJUHUSHCGJTSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00974381

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.2

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.097

Distribution Coefficient, logD

3.940

Water Solubility, LogSw

-3.89

Polar Surface Area

34.325

Acid Dissociation Constant (pKa)

7.76

Base Dissociation Constant (pKb)

0.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

4065-0440 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

Selective Target Activity Profiling Library (14702 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:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4065-0440 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4065-0440?
Check Price and Availability of 4065-0440, 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 4065-0440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4065-0440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4065-0440
  • 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 4065-0440 available by request