4065-0445 Screening compound: 2-{[(2,4-dichlorophenyl)methyl]sulfanyl}-3,4-dihydropyrimidin-4-one

4065-0445 Screening compound: 2-{[(2,4-dichlorophenyl)methyl]sulfanyl}-3,4-dihydropyrimidin-4-one
4065-0445 Screening compound: 2-{[(2,4-dichlorophenyl)methyl]sulfanyl}-3,4-dihydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4065-0445
2-{[(2,4-dichlorophenyl)methyl]sulfanyl}-3,4-dihydropyrimidin-4-one

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

4065-0445

Molecular Formula

C11H8Cl2N2OS (C11 H8 Cl2 N2 OS)

Compound Name

2-{[(2,4-dichlorophenyl)methyl]sulfanyl}-3,4-dihydropyrimidin-4-one

IUPAC name

2-{[(24-dichlorophenyl)methyl]sulfanyl}-34-dihydropyrimidin-4-one

SMILES

O=C1NC(SCc(ccc(Cl)c2)c2Cl)=NC=C1

InChI

InChI=1S/C11H8Cl2N2OS/c12-8-2-1-7(9(13)5-8)6-17-11-14-4-3-10(16)15-11/h1-5H,6H2,(H,14,15,16)

InChI Key

NKZWWGQHTMRCTD-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.17

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

3.031

Distribution Coefficient, logD

2.853

Water Solubility, LogSw

-3.54

Polar Surface Area

34.595

Acid Dissociation Constant (pKa)

7.69

Base Dissociation Constant (pKb)

0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.09

References: we are preparing a list of scientific research reports with 4065-0445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4065-0445?
Check Price and Availability of 4065-0445, 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 4065-0445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4065-0445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4065-0445
  • 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 4065-0445 available by request